 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_wB97XD-def2SVPDr.in
 Output=36c_RhEn3-lelob2_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/36c_RhEn3-lelob2_STD/Gau-120640.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    120641.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=36c_RhEn3-lelob2_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 17:07:34 2021, MaxMem= 16106127360 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_wB97XD-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 24 17:07:34 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Sat Jul 24 17:07:34 2021, MaxMem= 16106127360 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0396239777 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.2822942529 Hartrees.
 Leave Link  301 at Sat Jul 24 17:07:35 2021, MaxMem= 16106127360 cpu:              14.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20718 LenP2D=   45903.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  1.01D-05  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Sat Jul 24 17:07:36 2021, MaxMem= 16106127360 cpu:              11.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 17:07:37 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 17:07:37 2021, MaxMem= 16106127360 cpu:              10.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105624283 LenY= 16105378763
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.762974249338    
 DIIS: error= 4.94D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.762974249338     IErMin= 1 ErrMin= 4.94D-03
 ErrMax= 4.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-02 BMatP= 1.83D-02
 IDIUse=3 WtCom= 9.51D-01 WtEn= 4.94D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.389 Goal=   None    Shift=    0.000
 GapD=    0.389 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.93D-03 MaxDP=1.04D+00              OVMax= 1.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.55D-03    CP:  1.24D+00
 E= -680.776848985500     Delta-E=       -0.013874736162 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.776848985500     IErMin= 2 ErrMin= 1.23D-03
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-04 BMatP= 1.83D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.23D-02
 Coeff-Com: -0.141D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.139D-01 0.101D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.18D-03 MaxDP=1.72D-01 DE=-1.39D-02 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.46D-04    CP:  1.27D+00  1.13D+00
 E= -680.776981703702     Delta-E=       -0.000132718203 Rises=F Damp=F
 DIIS: error= 1.36D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.776981703702     IErMin= 2 ErrMin= 1.23D-03
 ErrMax= 1.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-04 BMatP= 5.82D-04
 IDIUse=3 WtCom= 2.13D-01 WtEn= 7.87D-01
 Coeff-Com: -0.475D-01 0.600D+00 0.448D+00
 Coeff-En:   0.000D+00 0.441D+00 0.559D+00
 Coeff:     -0.101D-01 0.475D+00 0.535D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.47D-04 MaxDP=1.90D-02 DE=-1.33D-04 OVMax= 6.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.63D-04    CP:  1.28D+00  1.15D+00  6.63D-01
 E= -680.777614177643     Delta-E=       -0.000632473941 Rises=F Damp=F
 DIIS: error= 6.74D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.777614177643     IErMin= 4 ErrMin= 6.74D-04
 ErrMax= 6.74D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 5.82D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.74D-03
 Coeff-Com: -0.214D-01 0.142D+00 0.294D+00 0.586D+00
 Coeff-En:   0.000D+00 0.000D+00 0.106D+00 0.894D+00
 Coeff:     -0.212D-01 0.141D+00 0.292D+00 0.588D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.31D-04 MaxDP=1.01D-02 DE=-6.32D-04 OVMax= 3.26D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.28D-05    CP:  1.28D+00  1.16D+00  8.67D-01  6.86D-01
 E= -680.777723902700     Delta-E=       -0.000109725057 Rises=F Damp=F
 DIIS: error= 9.91D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.777723902700     IErMin= 5 ErrMin= 9.91D-05
 ErrMax= 9.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 1.34D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.605D-03-0.553D-01 0.142D-01 0.275D+00 0.766D+00
 Coeff:      0.605D-03-0.553D-01 0.142D-01 0.275D+00 0.766D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.34D-05 MaxDP=3.53D-03 DE=-1.10D-04 OVMax= 7.51D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.88D-05    CP:  1.28D+00  1.16D+00  8.56D-01  7.92D-01  1.00D+00
 E= -680.777733169422     Delta-E=       -0.000009266722 Rises=F Damp=F
 DIIS: error= 1.64D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.777733169422     IErMin= 6 ErrMin= 1.64D-05
 ErrMax= 1.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-07 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-02-0.236D-01-0.176D-01 0.429D-01 0.233D+00 0.764D+00
 Coeff:      0.135D-02-0.236D-01-0.176D-01 0.429D-01 0.233D+00 0.764D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.43D-06 MaxDP=2.69D-04 DE=-9.27D-06 OVMax= 1.90D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.27D-06    CP:  1.28D+00  1.16D+00  8.56D-01  8.02D-01  1.01D+00
                    CP:  9.23D-01
 E= -680.777733555000     Delta-E=       -0.000000385578 Rises=F Damp=F
 DIIS: error= 5.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.777733555000     IErMin= 7 ErrMin= 5.36D-06
 ErrMax= 5.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-08 BMatP= 3.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-03-0.208D-02-0.598D-02-0.805D-02-0.508D-02 0.188D+00
 Coeff-Com:  0.833D+00
 Coeff:      0.313D-03-0.208D-02-0.598D-02-0.805D-02-0.508D-02 0.188D+00
 Coeff:      0.833D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=1.50D-04 DE=-3.86D-07 OVMax= 4.79D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.00D-06    CP:  1.28D+00  1.16D+00  8.56D-01  8.06D-01  1.02D+00
                    CP:  9.84D-01  1.05D+00
 E= -680.777733590813     Delta-E=       -0.000000035813 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.777733590813     IErMin= 8 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-09 BMatP= 2.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.782D-04 0.257D-02 0.462D-03-0.761D-02-0.362D-01-0.437D-01
 Coeff-Com:  0.228D+00 0.857D+00
 Coeff:     -0.782D-04 0.257D-02 0.462D-03-0.761D-02-0.362D-01-0.437D-01
 Coeff:      0.228D+00 0.857D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.66D-07 MaxDP=4.60D-05 DE=-3.58D-08 OVMax= 1.78D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.04D-07    CP:  1.28D+00  1.16D+00  8.55D-01  8.06D-01  1.03D+00
                    CP:  1.01D+00  1.12D+00  9.60D-01
 E= -680.777733594904     Delta-E=       -0.000000004091 Rises=F Damp=F
 DIIS: error= 2.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.777733594904     IErMin= 9 ErrMin= 2.68D-07
 ErrMax= 2.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-11 BMatP= 3.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-04 0.243D-03 0.236D-03 0.950D-04-0.267D-02-0.902D-02
 Coeff-Com: -0.145D-01 0.474D-01 0.978D+00
 Coeff:     -0.190D-04 0.243D-03 0.236D-03 0.950D-04-0.267D-02-0.902D-02
 Coeff:     -0.145D-01 0.474D-01 0.978D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.86D-07 MaxDP=2.13D-05 DE=-4.09D-09 OVMax= 3.83D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.69D-08    CP:  1.28D+00  1.16D+00  8.55D-01  8.07D-01  1.02D+00
                    CP:  1.01D+00  1.12D+00  9.77D-01  1.08D+00
 E= -680.777733594962     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 9.65D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.777733594962     IErMin=10 ErrMin= 9.65D-08
 ErrMax= 9.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-12 BMatP= 5.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.766D-06-0.714D-04 0.904D-05 0.353D-03 0.107D-02 0.587D-03
 Coeff-Com: -0.110D-01-0.315D-01 0.117D+00 0.924D+00
 Coeff:      0.766D-06-0.714D-04 0.904D-05 0.353D-03 0.107D-02 0.587D-03
 Coeff:     -0.110D-01-0.315D-01 0.117D+00 0.924D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.73D-08 MaxDP=4.34D-06 DE=-5.84D-11 OVMax= 1.51D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.63D-08    CP:  1.28D+00  1.16D+00  8.55D-01  8.07D-01  1.02D+00
                    CP:  1.01D+00  1.12D+00  9.82D-01  1.11D+00  9.45D-01
 E= -680.777733595028     Delta-E=       -0.000000000066 Rises=F Damp=F
 DIIS: error= 5.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.777733595028     IErMin=11 ErrMin= 5.70D-08
 ErrMax= 5.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-12 BMatP= 3.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-05-0.475D-04-0.121D-04 0.144D-03 0.660D-03 0.875D-03
 Coeff-Com: -0.369D-02-0.172D-01-0.204D-01 0.421D+00 0.619D+00
 Coeff:      0.161D-05-0.475D-04-0.121D-04 0.144D-03 0.660D-03 0.875D-03
 Coeff:     -0.369D-02-0.172D-01-0.204D-01 0.421D+00 0.619D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.47D-09 MaxDP=5.94D-07 DE=-6.57D-11 OVMax= 5.33D-07

 SCF Done:  E(RwB97XD) =  -680.777733595     A.U. after   11 cycles
            NFock= 11  Conv=0.75D-08     -V/T= 2.1269
 KE= 6.040967067609D+02 PE=-3.900975193358D+03 EE= 1.417818458749D+03
 Leave Link  502 at Sat Jul 24 17:11:15 2021, MaxMem= 16106127360 cpu:            3470.6 elap:             217.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.67071972D+02

 Leave Link  801 at Sat Jul 24 17:11:15 2021, MaxMem= 16106127360 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 3.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.41D-01 9.43D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 4.55D-02 6.74D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 6.21D-03 1.82D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 9.07D-04 7.87D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 9.86D-05 3.83D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 2.12D-05 1.34D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 1.96D-06 2.06D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 9.59D-08 7.55D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 5.30D-09 2.17D-05.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 3.89D-10 5.70D-06.
     10 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 1.55D-11 9.01D-07.
      4 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 4.24D-13 1.95D-07.
      1 vectors produced by pass 13 Test12= 3.94D-13 8.33D-09 XBig12= 1.18D-14 3.18D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.152912D+03
      2 -0.158416D-03  0.151515D+03
      3 -0.217143D-02  0.530054D-01  0.120963D+03
 Isotropic polarizability for W=    0.085645      141.80 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.846844D+02 -0.496786D+00  0.166732D-01
      2   0.906107D+02  0.527949D+00  0.134130D-01
      3  -0.592637D+01 -0.311632D-01 -0.300862D-01
      4  -0.517999D+00  0.930618D+02 -0.467739D+01
      5  -0.642449D-01  0.145703D+01 -0.880980D+01
      6  -0.920543D+01 -0.699607D-01 -0.512234D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.266531D+00 -0.433099D-01  0.106284D-02
      2  -0.211951D-01  0.408763D+01 -0.186757D+01
      3  -0.199463D-01 -0.152482D+01 -0.520024D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.613442D+01 -0.833738D-01  0.200602D-01
      2   0.809180D-01  0.452804D+01 -0.288343D+01
      3  -0.212130D-01 -0.245101D+01 -0.106625D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.977302D+00  0.158193D-01  0.457678D-02
      2   0.158193D-01 -0.133484D+01  0.181292D+00
      3   0.457678D-02  0.181292D+00 -0.488535D+00
 OR G Eigenvalues:    -1.3721    -0.4514     0.9774  Iso=     0.2820
 Eigenvectors:
   (1)  -0.006204   0.979581  -0.200953
   (2)  -0.005363   0.200921   0.979593
   (3)   0.999966   0.007155   0.004007
 w=    0.085645 a.u., Optical Rotation Beta=      0.2820 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =       47.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 5.22D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.05D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.97D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 5.76D-01 3.62D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.05D-02 2.24D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 5.45D-04 4.66D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 1.08D-05 4.31D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 1.67D-07 7.12D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 2.20D-09 7.69D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 2.90D-11 8.26D-07.
     29 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 3.06D-13 9.11D-08.
      5 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 3.77D-15 6.78D-09.
      1 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 2.35D-15 4.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   275 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.82D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 5.82D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.16D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152912D+03 -0.158416D-03 -0.217143D-02
      2  -0.158416D-03  0.151515D+03  0.530054D-01
      3  -0.217143D-02  0.530054D-01  0.120963D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.266531D+00 -0.433099D-01  0.106284D-02
      2  -0.211951D-01  0.408763D+01 -0.186757D+01
      3  -0.199463D-01 -0.152482D+01 -0.520024D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.846844D+02 -0.496786D+00  0.166732D-01
      2   0.906107D+02  0.527949D+00  0.134130D-01
      3  -0.592637D+01 -0.311632D-01 -0.300862D-01
      4  -0.517999D+00  0.930618D+02 -0.467739D+01
      5  -0.642449D-01  0.145703D+01 -0.880980D+01
      6  -0.920543D+01 -0.699607D-01 -0.512234D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.378196D+01 -0.381910D+01  0.312620D+01 -0.559817D+01  0.126094D+01
      2  -0.381910D+01  0.812003D+00 -0.452606D+00  0.126094D+01  0.274493D+01
      3   0.312620D+01 -0.452606D+00  0.796714D+00 -0.124580D+01  0.281416D+01
                 6             7             8             9            10 
      1  -0.124580D+01  0.252269D+01 -0.736969D+00  0.102883D+01  0.372907D+01
      2   0.281416D+01 -0.736969D+00  0.219202D+01  0.685922D+00  0.382086D+01
      3   0.600439D+00  0.102883D+01  0.685922D+00 -0.565877D+00 -0.311431D+01
                11            12            13            14            15 
      1   0.382086D+01 -0.311431D+01  0.560669D+01  0.132260D+01 -0.123677D+01
      2   0.865829D+00 -0.442923D+00  0.132260D+01 -0.273133D+01 -0.281859D+01
      3  -0.442923D+00  0.784636D+00 -0.123677D+01 -0.281859D+01 -0.597194D+00
                16            17            18            19            20 
      1  -0.251227D+01 -0.727304D+00  0.102179D+01 -0.825779D+01 -0.449261D+01
      2  -0.727304D+00 -0.219549D+01 -0.681359D+00 -0.449261D+01 -0.145607D+01
      3   0.102179D+01 -0.681359D+00  0.566973D+00  0.479451D+01  0.128311D+01
                21            22            23            24            25 
      1   0.479451D+01 -0.180879D+01 -0.618473D+00  0.227594D+00  0.310595D+01
      2   0.128311D+01 -0.618473D+00  0.143256D+01  0.137191D+01  0.110393D+01
      3  -0.204774D+01  0.227594D+00  0.137191D+01 -0.750722D+00 -0.187253D+01
                26            27            28            29            30 
      1   0.110393D+01 -0.187253D+01  0.145137D+01  0.463911D-02  0.969542D-02
      2   0.182185D+01 -0.993198D+00  0.463911D-02 -0.157152D+01 -0.161620D+01
      3  -0.993198D+00 -0.150373D+01  0.969542D-02 -0.161620D+01  0.197523D+00
                31            32            33            34            35 
      1   0.364603D-02 -0.158199D+01  0.181162D+01  0.153087D-01 -0.133949D+00
      2  -0.158199D+01 -0.869697D-02  0.109007D-02 -0.133949D+00  0.148507D-01
      3   0.181162D+01  0.109007D-02  0.521859D-03  0.166315D+00  0.682231D-03
                36            37            38            39            40 
      1   0.166315D+00  0.491177D+01  0.365384D+01 -0.180412D+01  0.564189D+01
      2   0.682231D-03  0.365384D+01  0.136707D+01 -0.291135D+01  0.312873D+01
      3   0.428264D-02 -0.180412D+01 -0.291135D+01  0.185656D+01 -0.351991D+01
                41            42            43            44            45 
      1   0.312873D+01 -0.351991D+01 -0.149880D+01 -0.190195D+01  0.233342D+01
      2   0.285079D+01 -0.250101D+01 -0.190195D+01 -0.147284D+01 -0.125185D+00
      3  -0.250101D+01  0.518778D+00  0.233342D+01 -0.125185D+00  0.527574D+00
                46            47            48            49            50 
      1  -0.269530D+01 -0.986105D+00 -0.313555D+00 -0.197582D+01 -0.198235D+01
      2  -0.986105D+00 -0.876524D+00  0.308889D+01 -0.198235D+01 -0.112048D+01
      3  -0.313555D+00  0.308889D+01 -0.180579D+01  0.310657D+01  0.247541D+01
                51            52            53            54            55 
      1   0.310657D+01  0.145385D+00  0.438951D+01 -0.275590D+01  0.596641D+00
      2   0.247541D+01  0.438951D+01  0.315433D+01 -0.790309D+00 -0.712356D+00
      3  -0.179601D+00 -0.275590D+01 -0.790309D+00  0.332305D+00  0.994047D+00
                56            57            58            59            60 
      1  -0.712356D+00  0.994047D+00 -0.294921D+00 -0.264297D+00 -0.273705D+01
      2  -0.162155D+01 -0.268613D+01 -0.264297D+00 -0.475766D+01 -0.311130D+01
      3  -0.268613D+01  0.862851D+00 -0.273705D+01 -0.311130D+01 -0.144162D+01
                61            62            63            64            65 
      1   0.154591D+01 -0.338209D+01  0.822327D+00  0.119115D+01  0.218419D+00
      2  -0.338209D+01 -0.461743D+01 -0.250027D+01  0.218419D+00  0.318765D+01
      3   0.822327D+00 -0.250027D+01 -0.181068D+00 -0.583239D+00  0.215659D+01
                66            67            68            69            70 
      1  -0.583239D+00 -0.301412D+00  0.604093D+00  0.157960D+01 -0.323079D+00
      2   0.215659D+01  0.604093D+00  0.104166D+02  0.461636D+01  0.989288D+00
      3  -0.558483D+00  0.157960D+01  0.461636D+01  0.162546D+01 -0.128235D+01
                71            72            73            74            75 
      1   0.989288D+00 -0.128235D+01 -0.829515D+01  0.447981D+01 -0.480293D+01
      2   0.307095D+01  0.183930D+01  0.447981D+01 -0.141919D+01  0.128160D+01
      3   0.183930D+01 -0.538833D+00 -0.480293D+01  0.128160D+01 -0.206539D+01
                76            77            78            79            80 
      1   0.178669D+01 -0.589851D+00  0.219645D+00 -0.312239D+01  0.111364D+01
      2  -0.589851D+00 -0.143836D+01 -0.137579D+01  0.111364D+01 -0.182757D+01
      3   0.219645D+00 -0.137579D+01  0.734632D+00 -0.189162D+01  0.981562D+00
                81            82            83            84            85 
      1  -0.189162D+01  0.494958D+01 -0.364910D+01  0.181864D+01 -0.564115D+01
      2   0.981562D+00 -0.364910D+01  0.136133D+01 -0.292652D+01  0.311925D+01
      3   0.150075D+01  0.181864D+01 -0.292652D+01  0.185240D+01 -0.353672D+01
                86            87            88            89            90 
      1   0.311925D+01 -0.353672D+01  0.149772D+01 -0.191470D+01  0.232983D+01
      2  -0.282427D+01  0.246870D+01 -0.191470D+01  0.144472D+01  0.136763D+00
      3   0.246870D+01 -0.511241D+00  0.232983D+01  0.136763D+00 -0.518692D+00
                91            92            93            94            95 
      1  -0.271557D+01  0.989071D+00  0.285221D+00  0.198144D+01 -0.199386D+01
      2   0.989071D+00 -0.905230D+00  0.311347D+01 -0.199386D+01  0.113642D+01
      3   0.285221D+00  0.311347D+01 -0.179874D+01  0.312726D+01 -0.245728D+01
                96            97            98            99           100 
      1   0.312726D+01 -0.176275D+00  0.440631D+01 -0.274657D+01  0.590441D+00
      2  -0.245728D+01  0.440631D+01 -0.312345D+01  0.776704D+00  0.727251D+00
      3   0.170952D+00 -0.274657D+01  0.776704D+00 -0.339117D+00 -0.965264D+00
               101           102           103           104           105 
      1   0.727251D+00 -0.965264D+00  0.298212D+00 -0.262620D+00 -0.275527D+01
      2  -0.162445D+01 -0.270835D+01 -0.262620D+00  0.471279D+01  0.307778D+01
      3  -0.270835D+01  0.844248D+00 -0.275527D+01  0.307778D+01  0.145118D+01
               106           107           108           109           110 
      1  -0.151452D+01 -0.341012D+01  0.797628D+00  0.119536D+01 -0.226923D+00
      2  -0.341012D+01  0.458531D+01  0.251772D+01 -0.226923D+00  0.322139D+01
      3   0.797628D+00  0.251772D+01  0.191128D+00  0.564692D+00  0.217709D+01
               111           112           113           114           115 
      1   0.564692D+00  0.297359D+00  0.639214D+00  0.159720D+01  0.314612D+00
      2   0.217709D+01  0.639214D+00 -0.103810D+02 -0.459662D+01  0.100104D+01
      3  -0.546080D+00  0.159720D+01 -0.459662D+01 -0.163318D+01 -0.127007D+01
               116           117           118           119           120 
      1   0.100104D+01 -0.127007D+01  0.491953D+01  0.192638D+00  0.150373D+01
      2  -0.307524D+01 -0.185647D+01  0.192638D+00  0.128350D+01 -0.268350D+00
      3  -0.185647D+01  0.538739D+00  0.150373D+01 -0.268350D+00  0.140420D+01
               121           122           123           124           125 
      1  -0.789060D+00  0.845964D+00 -0.550161D+00  0.259438D+01 -0.471267D+00
      2   0.845964D+00 -0.828937D+00  0.316302D+00 -0.471267D+00  0.768655D+00
      3  -0.550161D+00  0.316302D+00 -0.397089D+00  0.193171D+01  0.484963D-01
               126           127           128           129           130 
      1   0.193171D+01  0.424478D+01  0.274946D+01 -0.147957D+01  0.286507D+01
      2   0.484963D-01  0.274946D+01  0.245645D+01 -0.134710D+01  0.303651D+01
      3   0.206776D+01 -0.147957D+01 -0.134710D+01  0.137181D+01 -0.142371D+01
               131           132           133           134           135 
      1   0.303651D+01 -0.142371D+01 -0.262776D+01 -0.267099D+01  0.240679D+01
      2   0.529094D+01 -0.193926D+01 -0.267099D+01 -0.298108D+01  0.232070D+01
      3  -0.193926D+01  0.154563D+01  0.240679D+01  0.232070D+01 -0.269512D+01
               136           137           138           139           140 
      1  -0.245404D+01  0.102165D+01 -0.105487D+01  0.915484D+00 -0.110550D+01
      2   0.102165D+01 -0.220019D+01  0.845869D+00 -0.110550D+01  0.341878D+01
      3  -0.105487D+01  0.845869D+00 -0.112724D+01  0.549823D+00 -0.894380D+00
               141           142           143           144           145 
      1   0.549823D+00 -0.174208D+01  0.971925D+00 -0.995407D+00  0.147593D+01
      2  -0.894380D+00  0.971925D+00 -0.176560D+01  0.166232D+01  0.194217D+01
      3   0.968261D+00 -0.995407D+00  0.166232D+01 -0.219117D+01  0.553861D+00
               146           147           148           149           150 
      1   0.194217D+01  0.553861D+00  0.150579D+01  0.186800D+01  0.813326D+00
      2   0.220943D+01  0.879446D+00  0.186800D+01  0.878550D+01  0.270845D+01
      3   0.879446D+00  0.597540D+00  0.813326D+00  0.270845D+01  0.189443D+01
               151           152           153           154           155 
      1   0.512341D+00  0.142354D+01  0.734303D+00 -0.243205D+01 -0.103026D+01
      2   0.142354D+01  0.490832D+01  0.309194D+01 -0.103026D+01 -0.219587D+01
      3   0.734303D+00  0.309194D+01  0.245479D+01  0.104135D+01  0.851349D+00
               156           157           158           159           160 
      1   0.104135D+01 -0.926247D+00 -0.109884D+01  0.553746D+00  0.172598D+01
      2   0.851349D+00 -0.109884D+01 -0.345375D+01  0.897362D+00  0.977692D+00
      3  -0.111816D+01  0.553746D+00  0.897362D+00 -0.976209D+00 -0.982226D+00
               161           162           163           164           165 
      1   0.977692D+00 -0.982226D+00  0.150079D+01 -0.195383D+01 -0.566062D+00
      2   0.177383D+01 -0.166961D+01 -0.195383D+01  0.223321D+01  0.893686D+00
      3  -0.166961D+01  0.218205D+01 -0.566062D+00  0.893686D+00  0.611463D+00
               166           167           168           169           170 
      1  -0.151351D+01  0.188521D+01  0.823951D+00 -0.528512D+00  0.144514D+01
      2   0.188521D+01 -0.873085D+01 -0.270292D+01  0.144514D+01 -0.490259D+01
      3   0.823951D+00 -0.270292D+01 -0.189603D+01  0.751954D+00 -0.309697D+01
               171           172           173           174           175 
      1   0.751954D+00  0.492347D+01 -0.182089D+00 -0.149613D+01  0.799851D+00
      2  -0.309697D+01 -0.182089D+00  0.128256D+01 -0.275197D+00  0.849082D+00
      3  -0.246891D+01 -0.149613D+01 -0.275197D+00  0.139944D+01 -0.556193D+00
               176           177           178           179           180 
      1   0.849082D+00 -0.556193D+00 -0.257969D+01 -0.483041D+00  0.192581D+01
      2   0.873043D+00 -0.330035D+00 -0.483041D+00 -0.788139D+00 -0.301601D-01
      3  -0.330035D+00  0.410095D+00  0.192581D+01 -0.301601D-01 -0.206539D+01
               181           182           183           184           185 
      1   0.427904D+01 -0.275806D+01  0.148907D+01 -0.287478D+01  0.304024D+01
      2  -0.275806D+01  0.246439D+01 -0.135109D+01  0.304024D+01 -0.526631D+01
      3   0.148907D+01 -0.135109D+01  0.137572D+01 -0.142621D+01  0.192738D+01
               186           187           188           189           190 
      1  -0.142621D+01  0.264311D+01 -0.267133D+01  0.241128D+01  0.436472D+01
      2   0.192738D+01 -0.267133D+01  0.295796D+01 -0.230946D+01  0.950672D+00
      3  -0.153943D+01  0.241128D+01 -0.230946D+01  0.268980D+01  0.177733D+01
               191           192           193           194           195 
      1   0.950672D+00  0.177733D+01  0.256589D+01  0.821299D-01  0.185031D+01
      2   0.163685D+01  0.803352D+00  0.821299D-01  0.192394D+01  0.128632D-01
      3   0.803352D+00  0.144982D+01  0.185031D+01  0.128632D-01  0.131853D+01
               196           197           198           199           200 
      1   0.958083D+00  0.105051D+01  0.932999D+00 -0.166043D+01  0.128672D+01
      2   0.105051D+01  0.177759D+00  0.573992D+00  0.128672D+01 -0.983996D+00
      3   0.932999D+00  0.573992D+00  0.174119D+01 -0.130076D+00  0.996052D+00
               201           202           203           204           205 
      1  -0.130076D+00  0.314264D-01 -0.482728D-01  0.329106D+00  0.116038D+01
      2   0.996052D+00 -0.482728D-01 -0.120398D+01  0.905525D+00 -0.228670D+00
      3  -0.159110D+01  0.329106D+00  0.905525D+00 -0.130076D+01  0.127415D+00
               206           207           208           209           210 
      1  -0.228670D+00  0.127415D+00 -0.343349D+01 -0.108300D+01 -0.155370D+01
      2   0.129283D+01 -0.130526D+01 -0.108300D+01 -0.355092D+01 -0.193006D+01
      3  -0.130526D+01  0.564868D+01 -0.155370D+01 -0.193006D+01 -0.184156D+01
               211           212           213           214           215 
      1  -0.164030D+01 -0.129743D+01 -0.940918D+00 -0.125619D+01 -0.855364D+00
      2  -0.129743D+01 -0.130511D+01 -0.209910D+00 -0.855364D+00  0.120324D+00
      3  -0.940918D+00 -0.209910D+00 -0.687564D+00 -0.975457D+00 -0.595129D+00
               216           217           218           219           220 
      1  -0.975457D+00  0.862766D+00 -0.652963D+00 -0.123644D+01 -0.453810D+00
      2  -0.595129D+00 -0.652963D+00  0.153834D+01  0.453789D+00 -0.560238D-01
      3  -0.176824D+01 -0.123644D+01  0.453789D+00  0.193031D+01 -0.221964D+00
               221           222           223           224           225 
      1  -0.560238D-01 -0.221964D+00 -0.108815D+01  0.191457D+00  0.111634D+01
      2   0.212454D+01  0.380591D+00  0.191457D+00 -0.140688D+01 -0.810561D+00
      3   0.380591D+00  0.624292D+00  0.111634D+01 -0.810561D+00 -0.550047D+01
               226           227           228           229           230 
      1   0.494532D+00  0.411276D+00  0.847616D+00  0.247984D+01 -0.112918D+01
      2   0.411276D+00 -0.101322D+01 -0.138854D+00 -0.112918D+01  0.571332D+01
      3   0.847616D+00 -0.138854D+00  0.211488D+00  0.860860D+00 -0.891801D+00
               231           232           233           234           235 
      1   0.860860D+00  0.178780D+01 -0.404020D+00  0.570907D+00  0.943606D+00
      2  -0.891801D+00 -0.404020D+00  0.989075D-03  0.470987D+00 -0.781020D+00
      3   0.123265D+01  0.570907D+00  0.470987D+00 -0.210588D+00  0.459300D-01
               236           237           238           239           240 
      1  -0.781020D+00  0.459300D-01 -0.127458D+01  0.119335D+00 -0.445274D+00
      2  -0.577063D-01 -0.375912D+00  0.119335D+00  0.707000D+00 -0.559652D+00
      3  -0.375912D+00  0.651999D+00 -0.445274D+00 -0.559652D+00 -0.324442D+00
               241           242           243           244           245 
      1  -0.181962D+01  0.241642D+00 -0.913900D+00 -0.346130D+01  0.107903D+01
      2   0.241642D+00 -0.989290D+00  0.110438D+01  0.107903D+01 -0.355789D+01
      3  -0.913900D+00  0.110438D+01 -0.698747D+01  0.156950D+01 -0.192463D+01
               246           247           248           249           250 
      1   0.156950D+01  0.162968D+01 -0.129818D+01 -0.934908D+00  0.126570D+01
      2  -0.192463D+01 -0.129818D+01  0.127749D+01  0.201108D+00 -0.848399D+00
      3  -0.184637D+01 -0.934908D+00  0.201108D+00  0.682477D+00 -0.978823D+00
               251           252           253           254           255 
      1  -0.848399D+00 -0.978823D+00  0.859531D+00  0.651869D+00  0.123952D+01
      2  -0.121783D+00  0.595432D+00  0.651869D+00  0.155299D+01  0.462071D+00
      3   0.595432D+00  0.177235D+01  0.123952D+01  0.462071D+00  0.193829D+01
               256           257           258           259           260 
      1   0.458570D+00 -0.433730D-01 -0.216044D+00  0.108837D+01  0.192444D+00
      2  -0.433730D-01 -0.211802D+01 -0.378935D+00  0.192444D+00  0.141147D+01
      3  -0.216044D+00 -0.378935D+00 -0.611636D+00  0.111740D+01  0.820659D+00
               261           262           263           264           265 
      1   0.111740D+01  0.438566D+01 -0.948217D+00 -0.177772D+01 -0.255506D+01
      2   0.820659D+00 -0.948217D+00  0.166143D+01  0.787116D+00  0.938713D-01
      3   0.550060D+01 -0.177772D+01  0.787116D+00  0.145020D+01  0.183400D+01
               266           267           268           269           270 
      1   0.938713D-01  0.183400D+01 -0.954408D+00  0.104259D+01  0.929286D+00
      2  -0.198258D+01  0.270169D-01  0.104259D+01 -0.132746D+00 -0.584631D+00
      3   0.270169D-01 -0.131971D+01  0.929286D+00 -0.584631D+00 -0.171931D+01
               271           272           273           274           275 
      1  -0.164817D+01 -0.128944D+01  0.126567D+00 -0.401377D-01 -0.564389D-01
      2  -0.128944D+01 -0.991953D+00  0.994469D+00 -0.564389D-01  0.119576D+01
      3   0.126567D+00  0.994469D+00 -0.158925D+01  0.330105D+00 -0.897629D+00
               276           277           278           279           280 
      1   0.330105D+00 -0.116232D+01 -0.234259D+00  0.132228D+00 -0.960759D+00
      2  -0.897629D+00 -0.234259D+00 -0.129264D+01  0.129904D+01 -0.689403D+00
      3   0.128795D+01  0.132228D+00  0.129904D+01 -0.566015D+01 -0.996840D+00
               281           282           283           284           285 
      1  -0.689403D+00 -0.996840D+00 -0.152377D+01 -0.128170D+01 -0.559946D+00
      2  -0.423538D+00 -0.190942D+00 -0.128170D+01 -0.406648D+01 -0.200378D+01
      3  -0.190942D+00 -0.418775D+00 -0.559946D+00 -0.200378D+01 -0.223085D+01
               286           287           288           289           290 
      1  -0.164899D+01 -0.410184D+00 -0.903863D+00 -0.907425D+01  0.227343D+01
      2  -0.410184D+00 -0.153944D+01 -0.146881D+01  0.227343D+01 -0.159292D+01
      3  -0.903863D+00 -0.146881D+01 -0.214826D+01 -0.245632D+01  0.599420D+00
               291           292           293           294           295 
      1  -0.245632D+01  0.444147D+01 -0.243643D+01  0.143004D+01 -0.272222D+01
      2   0.599420D+00 -0.243643D+01  0.139336D+01 -0.122794D+01  0.759721D+00
      3  -0.183647D+01  0.143004D+01 -0.122794D+01  0.928157D+00 -0.238515D+01
               296           297           298           299           300 
      1   0.759721D+00 -0.238515D+01 -0.904370D+01 -0.229631D+01  0.243879D+01
      2  -0.757183D+00  0.637805D+00 -0.229631D+01 -0.160911D+01  0.601472D+00
      3   0.637805D+00 -0.149512D+01  0.243879D+01  0.601472D+00 -0.182547D+01
               301           302           303           304           305 
      1  -0.446729D+01 -0.246139D+01  0.143101D+01  0.270384D+01  0.763788D+00
      2  -0.246139D+01 -0.142126D+01  0.123241D+01  0.763788D+00  0.760766D+00
      3   0.143101D+01  0.123241D+01 -0.932778D+00 -0.237456D+01 -0.645684D+00
               306           307           308           309           310 
      1  -0.237456D+01 -0.958430D+00  0.707269D+00  0.995370D+00  0.155086D+01
      2  -0.645684D+00  0.707269D+00 -0.435376D+00 -0.199995D+00 -0.129089D+01
      3   0.148464D+01  0.995370D+00 -0.199995D+00 -0.428830D+00 -0.571854D+00
               311           312           313           314           315 
      1  -0.129089D+01 -0.571854D+00  0.165008D+01 -0.414236D+00 -0.911155D+00
      2   0.406058D+01  0.199848D+01 -0.414236D+00  0.153437D+01  0.146417D+01
      3   0.199848D+01  0.222930D+01 -0.911155D+00  0.146417D+01  0.214490D+01
               316           317           318           319           320 
      1   0.931670D+00  0.785772D+00 -0.432475D-01  0.128426D+01  0.129285D+00
      2   0.785772D+00 -0.511115D-01 -0.375369D+00  0.129285D+00 -0.700819D+00
      3  -0.432475D-01 -0.375369D+00  0.644397D+00 -0.449796D+00  0.555158D+00
               321           322           323           324           325 
      1  -0.449796D+00  0.181791D+01  0.245453D+00 -0.916417D+00  0.507070D+00
      2   0.555158D+00  0.245453D+00  0.988458D+00 -0.109677D+01 -0.395056D+00
      3   0.339223D+00 -0.916417D+00 -0.109677D+01  0.699027D+01 -0.847258D+00
               326           327           328           329           330 
      1  -0.395056D+00 -0.847258D+00 -0.246530D+01 -0.112735D+01  0.852732D+00
      2  -0.996088D+00 -0.147272D+00 -0.112735D+01 -0.571847D+01  0.908784D+00
      3  -0.147272D+00  0.213841D+00  0.852732D+00  0.908784D+00 -0.123289D+01
               331           332           333 
      1  -0.177827D+01 -0.410757D+00  0.567451D+00
      2  -0.410757D+00  0.961384D-02 -0.468754D+00
      3   0.567451D+00 -0.468754D+00  0.218723D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.220425D+01 -0.255330D+00  0.700846D-01  0.593968D+00 -0.195156D+01
      2  -0.451940D+01 -0.664399D+01  0.716537D+01 -0.764072D+01 -0.784562D+01
      3  -0.924633D+01 -0.205141D+01  0.289289D+01  0.117201D+01  0.987300D+01
                 6             7             8             9            10 
      1  -0.416189D+01  0.583358D+00 -0.428204D+00 -0.613160D+00  0.219255D+01
      2  -0.598139D+01  0.244257D+01 -0.761286D+00  0.113203D+01  0.457731D+01
      3   0.828071D+01  0.373009D+01  0.884175D+01  0.357144D+01  0.925637D+01
                11            12            13            14            15 
      1   0.320258D+00 -0.861677D-01 -0.530737D+00 -0.196362D+01 -0.417534D+01
      2  -0.666510D+01  0.715847D+01 -0.768868D+01  0.776946D+01  0.598267D+01
      3  -0.190416D+01  0.294519D+01  0.131991D+01 -0.986518D+01 -0.826972D+01
                16            17            18            19            20 
      1  -0.593360D+00 -0.425419D+00 -0.601569D+00 -0.669197D+00  0.664874D+01
      2   0.242468D+01  0.755266D+00 -0.111691D+01 -0.181627D+02 -0.110990D+01
      3   0.378310D+01 -0.884356D+01 -0.355937D+01 -0.120766D+02  0.288848D+01
                21            22            23            24            25 
      1   0.187318D+01  0.176493D+02  0.148786D+02 -0.984746D+01  0.108722D+02
      2  -0.160648D+01 -0.110709D+01 -0.282838D+01 -0.678219D+00 -0.236853D+02
      3   0.153270D+01  0.248500D+02  0.162834D+02 -0.942717D+01  0.282240D+01
                26            27            28            29            30 
      1   0.667376D+01 -0.129351D+02 -0.164435D+01  0.118123D-01  0.180844D-01
      2  -0.856033D+01  0.209639D+02 -0.641007D-01  0.115914D+01 -0.405830D+01
      3  -0.226897D+01  0.378327D-01 -0.364923D-01  0.766750D+01  0.132846D+01
                31            32            33            34            35 
      1  -0.228166D-01  0.366222D+00  0.500335D+01 -0.605700D-02 -0.112562D+02
      2  -0.383086D+00 -0.267266D-01 -0.146248D-02  0.122097D+02  0.313715D-01
      3  -0.966554D+01  0.318783D-02  0.486087D-01  0.315564D+00  0.148071D-01
                36            37            38            39            40 
      1   0.126284D+00 -0.640760D+01  0.746962D+01  0.672589D+01  0.119682D+02
      2  -0.270298D-01 -0.191261D+02 -0.830076D+01  0.755498D+01  0.118751D+01
      3  -0.191250D-01 -0.216140D+02 -0.324109D+01  0.116411D+02  0.180057D+02
                41            42            43            44            45 
      1   0.110003D+02 -0.425779D+01  0.119319D+02  0.915202D+01 -0.731239D+01
      2  -0.171037D+00 -0.924978D+01 -0.183519D+02 -0.171696D+02  0.176948D+02
      3   0.159219D+02 -0.781660D+01  0.460918D+01 -0.486630D+01  0.299748D+01
                46            47            48            49            50 
      1   0.576224D+01 -0.438802D+01  0.268875D+01 -0.385691D+01 -0.778643D+01
      2  -0.393795D+01  0.524182D+01 -0.187474D+01  0.395773D+01  0.539983D+01
      3  -0.384248D+01  0.182054D+00 -0.877828D+01  0.607361D+01 -0.290912D+01
                51            52            53            54            55 
      1  -0.640637D+01  0.103856D+01 -0.310674D+01  0.137329D+01 -0.791951D+00
      2   0.304405D+01 -0.383502D+01  0.396701D+01 -0.111107D+01 -0.912039D+00
      3  -0.292857D+01 -0.129301D+02 -0.154018D+01 -0.512141D+01  0.585590D+01
                56            57            58            59            60 
      1   0.846067D+01 -0.667014D+01  0.999424D+01  0.268981D+01 -0.715835D+00
      2  -0.372618D+01  0.432612D+01 -0.346289D+01  0.655761D-01  0.714800D+00
      3  -0.479929D+01  0.206896D+01  0.803211D+00  0.280619D+00 -0.901084D+01
                61            62            63            64            65 
      1  -0.622327D+01  0.360287D+00 -0.153625D+01  0.158331D+00  0.189539D+01
      2   0.167217D+00  0.107849D+01  0.610547D+00 -0.227950D+01  0.177879D+02
      3   0.562661D+01 -0.115902D+02  0.550100D+01 -0.294114D+00 -0.312932D+02
                66            67            68            69            70 
      1   0.649666D+01 -0.286985D+01 -0.179824D+02  0.175459D+01  0.680608D+01
      2   0.114827D+02  0.893665D+01 -0.275583D+01 -0.382127D+01  0.760321D+00
      3  -0.126380D+02 -0.891006D+01  0.625664D+01  0.646411D+01 -0.618680D+01
                71            72            73            74            75 
      1   0.290232D+02  0.181175D+02 -0.649215D+00 -0.669486D+01 -0.182352D+01
      2  -0.826871D+00  0.229284D+01  0.182797D+02 -0.110841D+01 -0.152032D+01
      3   0.181313D+01 -0.286174D+01  0.120532D+02  0.293981D+01  0.154482D+01
                76            77            78            79            80 
      1  -0.176770D+02  0.147834D+02 -0.981960D+01 -0.108246D+02  0.664954D+01
      2  -0.115593D+01  0.289895D+01  0.655154D+00 -0.236353D+02  0.852113D+01
      3   0.248456D+02 -0.161607D+02  0.937983D+01  0.286528D+01  0.225182D+01
                81            82            83            84            85 
      1  -0.128707D+02 -0.639777D+01 -0.750488D+01 -0.677091D+01 -0.120223D+02
      2  -0.210012D+02  0.190673D+02 -0.830241D+01  0.750724D+01  0.120999D+01
      3  -0.459788D-01  0.215072D+02 -0.315662D+01  0.116452D+02  0.181049D+02
                86            87            88            89            90 
      1   0.109857D+02 -0.432748D+01 -0.119141D+02  0.900578D+01 -0.724209D+01
      2   0.108886D+00  0.931958D+01 -0.183945D+02  0.171715D+02 -0.176855D+02
      3  -0.159499D+02  0.791268D+01  0.460994D+01  0.495331D+01 -0.302220D+01
                91            92            93            94            95 
      1   0.569610D+01  0.448069D+01 -0.264817D+01  0.391710D+01 -0.773952D+01
      2   0.390845D+01  0.534051D+01 -0.185839D+01  0.401081D+01 -0.539471D+01
      3   0.381317D+01  0.302640D+00 -0.881865D+01  0.611151D+01  0.286026D+01
                96            97            98            99           100 
      1  -0.640536D+01 -0.984213D+00 -0.312365D+01  0.135017D+01 -0.698432D+00
      2  -0.308008D+01 -0.379214D+01 -0.401237D+01  0.109955D+01  0.950529D+00
      3   0.288423D+01 -0.129267D+02  0.146937D+01  0.510969D+01 -0.583042D+01
               101           102           103           104           105 
      1  -0.850452D+01  0.661416D+01 -0.100255D+02  0.265625D+01 -0.650935D+00
      2  -0.375671D+01  0.434320D+01 -0.350279D+01 -0.874465D-01 -0.700817D+00
      3  -0.486007D+01  0.201166D+01  0.778805D+00 -0.348715D+00  0.904322D+01
               106           107           108           109           110 
      1   0.616605D+01  0.440121D+00 -0.150204D+01  0.142788D+00 -0.190952D+01
      2   0.174006D+00 -0.106957D+01 -0.610796D+00  0.219640D+01  0.177763D+02
      3   0.555888D+01  0.116545D+02 -0.545555D+01  0.431887D+00 -0.312727D+02
               111           112           113           114           115 
      1  -0.654490D+01  0.290867D+01 -0.180159D+02  0.167238D+01 -0.690065D+01
      2   0.114419D+02  0.893744D+01  0.280538D+01  0.387414D+01  0.725387D+00
      3  -0.126095D+02 -0.886015D+01 -0.640708D+01 -0.651355D+01 -0.616411D+01
               116           117           118           119           120 
      1   0.289947D+02  0.181417D+02 -0.421115D+01  0.110653D+01 -0.308282D+01
      2   0.919940D+00 -0.223737D+01  0.505427D+01 -0.109293D+01  0.526931D+01
      3  -0.183197D+01  0.285483D+01  0.115526D+02 -0.448289D+01  0.490780D+01
               121           122           123           124           125 
      1   0.165676D+01 -0.730838D+00  0.529011D+00 -0.430169D+01  0.188122D+01
      2  -0.194322D+01  0.102893D+01 -0.196968D+01  0.444171D+01 -0.341205D+00
      3  -0.393667D+01  0.646876D+01 -0.262260D+01  0.809271D+01 -0.435935D+01
               126           127           128           129           130 
      1  -0.579365D+01  0.165229D+01  0.106330D+01 -0.346004D+01  0.218069D+01
      2   0.679079D+01 -0.806804D+00 -0.116597D+01  0.341876D+01 -0.184891D+01
      3   0.463135D+01  0.440381D+01 -0.226352D+00 -0.897337D+00  0.127215D+01
               131           132           133           134           135 
      1   0.124156D+01 -0.411653D+01 -0.186512D+01  0.780574D-01  0.534216D+01
      2  -0.239012D+01  0.347969D+01  0.974582D+00  0.195967D+01 -0.490176D+01
      3  -0.519115D+01  0.657022D+00  0.818694D+00  0.362627D+01  0.206482D+00
               136           137           138           139           140 
      1   0.456820D+01 -0.330302D+01  0.496534D+01 -0.240153D+01  0.345875D+01
      2  -0.951617D+00  0.664011D+00  0.342386D+00  0.583513D+00 -0.611553D+00
      3  -0.118161D+02  0.349618D+01 -0.507441D+01  0.422909D+01 -0.665066D+01
               141           142           143           144           145 
      1  -0.386146D+01  0.424258D+01 -0.413102D+01  0.899623D+01 -0.493367D+00
      2   0.230657D+00 -0.217034D+01  0.501397D+00 -0.161038D+01 -0.326004D+00
      3   0.272998D+01 -0.824493D+01  0.442422D+01 -0.483961D+01  0.313706D+01
               146           147           148           149           150 
      1  -0.222535D+01 -0.195717D+01 -0.922694D+00 -0.379267D+01 -0.674958D+01
      2   0.195798D+00  0.934886D+00 -0.430690D+00  0.130008D+01  0.201503D+01
      3   0.325118D+01  0.887858D+00  0.480773D+01 -0.236807D+01 -0.429584D+00
               151           152           153           154           155 
      1  -0.537973D+00 -0.242503D+01 -0.661584D+01  0.449869D+01  0.334668D+01
      2  -0.133638D+01  0.543692D+00  0.204412D+01  0.943255D+00  0.680190D+00
      3   0.252657D+01  0.251398D+01 -0.324484D+00  0.117363D+02  0.357854D+01
               156           157           158           159           160 
      1  -0.492682D+01  0.243540D+01  0.346429D+01 -0.390886D+01 -0.418382D+01
      2   0.335698D+00  0.599883D+00  0.618396D+00 -0.248057D+00 -0.216438D+01
      3  -0.502217D+01  0.430365D+01  0.668260D+01 -0.276910D+01 -0.818960D+01
               161           162           163           164           165 
      1  -0.418120D+01  0.896203D+01 -0.518358D+00  0.224162D+01  0.199548D+01
      2  -0.533563D+00  0.163353D+01  0.327684D+00  0.208962D+00  0.954338D+00
      3  -0.449194D+01  0.481248D+01 -0.318354D+01  0.323056D+01  0.898057D+00
               166           167           168           169           170 
      1   0.947256D+00 -0.378742D+01 -0.673658D+01  0.567697D+00 -0.243912D+01
      2  -0.419565D+00 -0.131799D+01 -0.203928D+01 -0.133492D+01 -0.558259D+00
      3   0.477476D+01  0.238733D+01  0.425933D+00  0.255021D+01 -0.251579D+01
               171           172           173           174           175 
      1  -0.664698D+01 -0.416174D+01 -0.112465D+01  0.305211D+01 -0.167155D+01
      2  -0.208175D+01 -0.503820D+01 -0.112969D+01  0.526354D+01 -0.198154D+01
      3   0.310999D+00 -0.115182D+02 -0.452900D+01  0.489638D+01 -0.397967D+01
               176           177           178           179           180 
      1  -0.807467D+00  0.569402D+00  0.426658D+01  0.195254D+01 -0.577390D+01
      2  -0.109502D+01  0.202681D+01  0.444765D+01  0.409613D+00 -0.681214D+01
      3  -0.664440D+01  0.269373D+01  0.806897D+01  0.447109D+01 -0.466332D+01
               181           182           183           184           185 
      1   0.165944D+01 -0.106735D+01  0.346256D+01 -0.216954D+01  0.121229D+01
      2   0.822866D+00 -0.118266D+01  0.344405D+01 -0.185832D+01  0.237194D+01
      3  -0.440908D+01 -0.277673D+00 -0.885752D+00  0.123544D+01  0.519070D+01
               186           187           188           189           190 
      1  -0.409138D+01  0.185077D+01  0.100839D+00  0.531226D+01  0.428848D+01
      2  -0.347977D+01  0.973993D+00 -0.193655D+01  0.490686D+01 -0.290289D+01
      3  -0.652773D+00  0.823311D+00 -0.359719D+01 -0.212102D+00 -0.681933D+01
               191           192           193           194           195 
      1   0.365745D+01  0.315244D+01  0.429370D+01  0.461708D+01  0.228941D+01
      2  -0.864202D+00  0.649850D+00 -0.447276D+01  0.102466D+01 -0.692820D+00
      3  -0.539385D+01 -0.354189D+01 -0.648129D+01 -0.528244D+01 -0.407998D+01
               196           197           198           199           200 
      1   0.193204D+01  0.249467D+01  0.241224D+01  0.126632D+01 -0.158145D+01
      2   0.564698D+00  0.541442D+00  0.107863D+01 -0.106150D+01  0.275543D+01
      3  -0.174249D+01 -0.126651D+01 -0.267546D+01 -0.209190D+01  0.240540D+01
               201           202           203           204           205 
      1  -0.759733D+00  0.240527D+00 -0.375613D+00 -0.708593D+00 -0.121719D+00
      2  -0.574237D+01  0.160193D+01  0.161811D+01 -0.257404D+01 -0.165590D+01
      3  -0.277040D+01  0.154221D+01  0.115404D+01 -0.161635D+01 -0.145756D+00
               206           207           208           209           210 
      1   0.143597D+01  0.402870D+01 -0.255297D+01  0.277356D+01 -0.194436D+01
      2  -0.263704D+01  0.111618D+02 -0.767478D+01 -0.405553D+01 -0.317076D+01
      3  -0.225612D+01  0.232574D+01  0.111376D+02  0.416936D+01  0.556431D+01
               211           212           213           214           215 
      1   0.917051D-01 -0.768323D+00 -0.160737D+01 -0.242671D+01 -0.329535D+00
      2  -0.191623D+01 -0.605224D+00 -0.948154D+00 -0.239614D+01 -0.314950D+00
      3   0.317083D+01  0.123314D+01  0.111638D+01  0.211162D+01  0.102461D+01
               216           217           218           219           220 
      1  -0.211874D+01 -0.226866D+01 -0.401581D-01  0.493713D+01 -0.375322D+00
      2  -0.177885D+01  0.181849D+01 -0.136999D+01 -0.150294D+01  0.647008D+00
      3   0.288613D+01 -0.221904D+01  0.908376D+00  0.284615D+01  0.178917D-01
               221           222           223           224           225 
      1   0.138246D+01  0.304644D+01  0.215497D+01  0.269517D+00 -0.114146D+02
      2  -0.219615D+01 -0.136692D+01 -0.248106D+01  0.693807D+00  0.177280D+01
      3   0.305883D+01  0.154445D+01  0.215745D+01 -0.107317D+01 -0.246537D+01
               226           227           228           229           230 
      1   0.766430D+00 -0.101595D+01  0.928505D+00  0.222206D+01 -0.980341D+01
      2   0.141873D+01  0.538217D+00  0.152604D+01  0.285531D+01  0.488553D+00
      3   0.318862D+00  0.604836D+00 -0.595446D+00  0.965809D+00  0.119844D+02
               231           232           233           234           235 
      1   0.509825D-01  0.233310D+01 -0.226573D+01  0.111414D+00 -0.183519D+01
      2  -0.925004D+00  0.165452D+01 -0.178964D+01  0.736326D+00  0.825043D+00
      3  -0.154717D+01 -0.171449D+00  0.208505D+01  0.346973D+00  0.166615D+01
               236           237           238           239           240 
      1   0.824688D+00 -0.193075D+01  0.874030D+00  0.202368D+00  0.165982D+01
      2   0.131292D+01 -0.270704D+01  0.615709D-01  0.141817D+01  0.880412D+00
      3  -0.760617D+00 -0.289749D+00  0.146618D+00  0.421377D+00 -0.164874D+01
               241           242           243           244           245 
      1   0.144573D+01  0.710317D+00  0.664308D+01 -0.260240D+01 -0.277483D+01
      2  -0.151517D+01 -0.253233D+01  0.135879D+02  0.771367D+01 -0.402436D+01
      3  -0.215547D+01 -0.140007D+01  0.137614D+01 -0.112360D+02  0.408585D+01
               246           247           248           249           250 
      1   0.197947D+01 -0.105626D+00 -0.791686D+00 -0.160089D+01  0.244532D+01
      2  -0.317602D+01 -0.187468D+01  0.590406D+00  0.927788D+00 -0.239858D+01
      3   0.558726D+01  0.309639D+01 -0.123964D+01 -0.109253D+01  0.213524D+01
               251           252           253           254           255 
      1  -0.317107D+00 -0.212949D+01 -0.227197D+01  0.279817D-01 -0.495646D+01
      2   0.307223D+00  0.177464D+01 -0.182858D+01 -0.138464D+01 -0.152623D+01
      3  -0.101922D+01 -0.289588D+01  0.222313D+01  0.933670D+00  0.285930D+01
               256           257           258           259           260 
      1   0.359052D+00  0.135950D+01  0.300822D+01 -0.215643D+01  0.251520D+00
      2   0.632759D+00  0.219946D+01  0.136961D+01 -0.249103D+01 -0.706513D+00
      3   0.347629D-01 -0.305141D+01 -0.153432D+01  0.216223D+01  0.108580D+01
               261           262           263           264           265 
      1  -0.114059D+02  0.430681D+01 -0.370290D+01 -0.312223D+01 -0.429803D+01
      2  -0.181597D+01  0.294541D+01 -0.911239D+00  0.658536D+00 -0.451347D+01
      3   0.247736D+01  0.688190D+01 -0.549208D+01 -0.350826D+01 -0.654180D+01
               266           267           268           269           270 
      1   0.476123D+01  0.218453D+01 -0.190757D+01  0.239438D+01  0.242721D+01
      2  -0.870398D+00  0.637682D+00  0.589806D+00 -0.603960D+00 -0.102854D+01
      3   0.553008D+01  0.393456D+01 -0.169870D+01  0.111639D+01  0.271549D+01
               271           272           273           274           275 
      1   0.124211D+01  0.156939D+01  0.780948D+00 -0.239902D+00 -0.368682D+00
      2   0.106737D+01  0.276522D+01 -0.573994D+01  0.160988D+01 -0.160127D+01
      3   0.208077D+01  0.240594D+01 -0.276084D+01  0.155280D+01 -0.113829D+01
               276           277           278           279           280 
      1  -0.705935D+00  0.122609D+00  0.143307D+01  0.408086D+01  0.663186D+00
      2   0.253524D+01 -0.164047D+01  0.262159D+01 -0.111801D+02  0.380210D+01
      3   0.160438D+01 -0.140784D+00  0.224980D+01 -0.230684D+01 -0.242758D+01
               281           282           283           284           285 
      1   0.145282D+00  0.164003D+00  0.134469D+01  0.500526D+01  0.549614D+00
      2  -0.406532D+00  0.333236D+00 -0.483940D+00  0.580847D+01  0.790996D+01
      3  -0.113731D+01 -0.485030D+00 -0.153188D+01 -0.153736D+02 -0.715962D+01
               286           287           288           289           290 
      1   0.112109D+00  0.292178D+01  0.108189D+01 -0.130662D+01  0.151015D+01
      2  -0.424954D+00  0.511579D+01  0.620429D+01 -0.748053D+00 -0.311406D+00
      3  -0.103080D+01 -0.573681D+01 -0.565710D+01  0.467453D+01 -0.630409D+01
               291           292           293           294           295 
      1  -0.782914D-01  0.156426D+01 -0.143477D+01 -0.133973D+00 -0.489144D-01
      2   0.582256D+01  0.371820D+01  0.122030D+01 -0.156839D+01  0.247775D+01
      3   0.203082D+01 -0.316417D+01  0.480546D+01 -0.327106D+01 -0.101839D+00
               296           297           298           299           300 
      1   0.130182D+01  0.529742D-01 -0.129930D+01 -0.150530D+01  0.531261D-01
      2  -0.158753D+01  0.273355D+01  0.731832D+00 -0.308843D+00  0.581453D+01
      3  -0.303938D+01  0.110954D+01 -0.466044D+01 -0.632143D+01  0.201666D+01
               301           302           303           304           305 
      1  -0.158466D+01 -0.144066D+01 -0.144845D+00  0.390141D-01  0.129127D+01
      2   0.373319D+01 -0.120579D+01  0.159360D+01  0.247476D+01  0.160062D+01
      3  -0.318882D+01 -0.485892D+01  0.327522D+01 -0.109034D+00  0.303494D+01
               306           307           308           309           310 
      1   0.620673D-01  0.726750D+00 -0.152233D+00 -0.176332D+00 -0.133955D+01
      2  -0.271257D+01 -0.384926D+01 -0.415357D+00  0.389535D+00 -0.496036D+00
      3  -0.111185D+01  0.254384D+01 -0.116934D+01 -0.544322D+00 -0.155465D+01
               311           312           313           314           315 
      1   0.501948D+01  0.561188D+00 -0.128852D+00  0.293009D+01  0.109658D+01
      2  -0.579932D+01 -0.790041D+01 -0.383059D+00 -0.509837D+01 -0.619769D+01
      3   0.154051D+02  0.714274D+01 -0.107299D+01  0.572860D+01  0.565352D+01
               316           317           318           319           320 
      1  -0.182665D+01 -0.836945D+00  0.192850D+01 -0.891486D+00  0.206829D+00
      2  -0.829190D+00  0.130081D+01 -0.268293D+01  0.572087D-01 -0.140920D+01
      3  -0.167410D+01 -0.773134D+00 -0.281601D+00  0.125324D+00 -0.415872D+00
               321           322           323           324           325 
      1   0.168585D+01 -0.145043D+01  0.700283D+00  0.670088D+01  0.811920D+00
      2  -0.911072D+00 -0.151581D+01  0.250886D+01 -0.135685D+02 -0.143280D+01
      3   0.165239D+01 -0.216326D+01  0.138477D+01 -0.134732D+01 -0.278364D+00
               326           327           328           329           330 
      1   0.103344D+01 -0.947604D+00 -0.223562D+01 -0.977404D+01  0.820694D-01
      2   0.532995D+00  0.151640D+01  0.283996D+01 -0.523770D+00  0.939735D+00
      3   0.627627D+00 -0.630252D+00  0.940169D+00 -0.119458D+02  0.159898D+01
               331           332           333 
      1  -0.233535D+01 -0.224953D+01  0.119150D+00
      2   0.163270D+01  0.179166D+01 -0.739702D+00
      3  -0.193158D+00 -0.204745D+01 -0.339756D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.201434D+02  0.244297D+02 -0.203006D+02  0.302425D+02 -0.291396D+01
      2   0.129506D+02 -0.139203D+02  0.102216D+02 -0.177352D+02  0.304409D+01
      3   0.719284D+01 -0.105095D+02  0.100790D+02 -0.125073D+02 -0.130132D+00
      4   0.219475D+02 -0.625696D+01  0.375561D+01 -0.843095D+01 -0.107485D+02
      5  -0.198061D+02  0.510609D+01 -0.746877D+01  0.967889D+01 -0.177146D+02
      6   0.686977D+01 -0.629752D+00 -0.725493D+00 -0.432994D+01 -0.462844D+01
                 6             7             8             9            10 
      1   0.722880D+01 -0.153207D+02  0.477942D+01 -0.378796D+01 -0.198007D+02
      2  -0.447237D+01  0.703675D+01 -0.308605D+01  0.154135D+00  0.126487D+02
      3  -0.275643D+01  0.828398D+01 -0.169337D+01  0.363383D+01  0.715203D+01
      4  -0.153344D+02  0.423551D+01 -0.130830D+02 -0.331101D+01 -0.220461D+02
      5  -0.521785D+01 -0.737949D+01 -0.335535D+01  0.367514D+01  0.196630D+02
      6  -0.622457D+01  0.256783D+00 -0.545328D+01 -0.144797D+01  0.689308D+01
                11            12            13            14            15 
      1  -0.244487D+02  0.202326D+02 -0.302776D+02 -0.332446D+01  0.710634D+01
      2   0.138939D+02 -0.101436D+02  0.177148D+02  0.328603D+01 -0.436563D+01
      3   0.105548D+02 -0.100890D+02  0.125629D+02  0.384290D-01 -0.274071D+01
      4  -0.661316D+01  0.375730D+01 -0.883956D+01  0.106829D+02  0.154009D+02
      5   0.503012D+01 -0.739506D+01  0.958230D+01  0.177991D+02  0.523924D+01
      6   0.708845D+00  0.749166D+00  0.442991D+01 -0.453540D+01 -0.617928D+01
                16            17            18            19            20 
      1   0.152479D+02  0.466932D+01 -0.372875D+01  0.152892D+02  0.129935D+02
      2  -0.696700D+01 -0.298767D+01  0.143330D+00 -0.158898D+02 -0.921557D+01
      3  -0.828090D+01 -0.168166D+01  0.358542D+01  0.600514D+00 -0.377794D+01
      4   0.421864D+01  0.131393D+02  0.331040D+01  0.521906D+01 -0.245188D+00
      5  -0.732868D+01  0.336512D+01 -0.369257D+01 -0.109227D+02 -0.300932D+01
      6  -0.239369D+00 -0.543533D+01 -0.144930D+01 -0.741939D+01  0.129120D+01
                21            22            23            24            25 
      1  -0.121248D+02  0.609588D+01  0.225071D+01  0.178984D+01 -0.525243D+01
      2   0.111541D+02 -0.442744D+01 -0.832000D+01  0.415774D+00  0.558619D+01
      3   0.970661D+00 -0.166845D+01  0.606930D+01 -0.220561D+01 -0.333754D+00
      4  -0.101154D+01 -0.249033D+00 -0.114069D+02 -0.157845D+01 -0.113030D+01
      5   0.776761D+01 -0.191765D+01 -0.250483D+01  0.165195D+01  0.560598D+01
      6   0.135598D+01  0.139025D+00  0.451236D+01  0.365320D+01  0.286185D+00
                26            27            28            29            30 
      1  -0.866632D-01  0.991480D+01 -0.118412D+02 -0.100438D-01  0.180818D-01
      2  -0.605691D+00  0.415179D+01  0.227364D+01  0.475617D-02 -0.218769D-01
      3   0.692354D+00 -0.140666D+02  0.956758D+01  0.528761D-02  0.379507D-02
      4   0.495905D-01 -0.141003D+01 -0.253804D-02 -0.622550D+01 -0.569231D+01
      5  -0.239978D+00  0.666191D+01  0.111571D-01 -0.374111D+01 -0.243102D+01
      6   0.336750D+01  0.243317D+01 -0.330057D+01 -0.109077D-01  0.101441D-01
                31            32            33            34            35 
      1   0.532680D-02  0.239756D+01 -0.594304D+01  0.140818D-01 -0.858702D+01
      2  -0.977438D-02 -0.108679D+02  0.701260D+01 -0.177314D-01  0.927829D+01
      3   0.444758D-02  0.847031D+01 -0.106956D+01  0.364967D-02 -0.691268D+00
      4  -0.750039D+01  0.840715D-02 -0.335579D-01 -0.856432D+01 -0.232919D-01
      5  -0.351940D+01 -0.192266D-01  0.186529D-02  0.461694D+01  0.193214D-03
      6  -0.156609D-01  0.406518D+01 -0.256926D+01  0.100087D-01  0.356932D+01
                36            37            38            39            40 
      1   0.593118D+00 -0.654481D+01  0.145005D+01  0.983062D+01  0.683412D+00
      2   0.758356D+00  0.106858D+02 -0.367603D+01 -0.720027D+01  0.659035D+00
      3  -0.135147D+01 -0.414095D+01  0.222598D+01 -0.263035D+01 -0.134245D+01
      4  -0.332892D-02  0.107684D+02  0.628696D+01 -0.811964D+01  0.101982D+02
      5   0.860434D-02  0.254707D+01 -0.112737D+02  0.274426D+01 -0.106783D+02
      6  -0.672036D+00 -0.378565D+01 -0.510601D+01  0.642044D+01 -0.433548D+01
                41            42            43            44            45 
      1  -0.655850D+01 -0.498113D+01  0.832488D+01 -0.522948D+01  0.577293D+01
      2   0.514001D+01 -0.466502D+01 -0.421500D+01 -0.108385D+01  0.187975D+01
      3   0.141849D+01  0.964614D+01 -0.410988D+01  0.631333D+01 -0.765268D+01
      4   0.828235D+01 -0.961677D+01 -0.299325D+01 -0.627588D+01  0.235174D+01
      5  -0.466928D+01  0.329303D+01  0.199108D+01  0.902268D+00  0.112733D+01
      6  -0.329315D+01  0.130682D+01  0.415754D+01  0.166647D+00  0.603439D+01
                46            47            48            49            50 
      1  -0.744997D+01  0.159711D+01 -0.131360D+02  0.163114D+01 -0.115744D+01
      2   0.194416D+01 -0.209279D+01  0.170120D+02 -0.586889D+01  0.740104D+00
      3   0.550580D+01  0.495674D+00 -0.387599D+01  0.423775D+01  0.417333D+00
      4  -0.122861D+02 -0.801495D+01  0.806669D+01 -0.136761D+02 -0.972464D+01
      5  -0.336081D+01  0.126013D+02 -0.854606D+01  0.134666D+02  0.121016D+02
      6   0.167555D+01  0.144678D+02 -0.937471D+01  0.149188D+02  0.120158D+02
                51            52            53            54            55 
      1   0.609956D+01 -0.155542D+02  0.712936D+01 -0.864030D+01  0.331241D+01
      2   0.686350D+01  0.194830D+02  0.504264D+01  0.454993D+01 -0.303830D+01
      3  -0.129631D+02 -0.392881D+01 -0.121720D+02  0.409036D+01 -0.274117D+00
      4   0.198899D+02  0.127054D+02  0.241680D+02 -0.107456D+02  0.329449D+01
      5  -0.174718D+01 -0.130365D+02 -0.427448D+01  0.156313D+01  0.120788D+01
      6  -0.502804D+01 -0.118509D+02 -0.546562D+01  0.232461D+01  0.487077D+01
                56            57            58            59            60 
      1   0.391109D+01  0.103781D+02  0.189490D+01  0.161823D+02  0.328622D+01
      2  -0.594793D+01 -0.192864D+02 -0.346593D+00 -0.240954D+02 -0.139110D+02
      3   0.203684D+01  0.890827D+01 -0.154831D+01  0.791316D+01  0.106248D+02
      4  -0.727968D+01  0.427630D+00 -0.316215D+01 -0.105824D+02 -0.198184D+02
      5  -0.316842D+01 -0.902977D+00 -0.334756D+01 -0.869238D+01 -0.409158D+01
      6  -0.174134D+02  0.358320D+01 -0.168447D+02 -0.190812D+02 -0.112777D+02
                61            62            63            64            65 
      1   0.132065D+02  0.782328D+01  0.995606D+01  0.270471D+01 -0.522170D+01
      2  -0.211744D+02 -0.179598D+02 -0.133706D+02 -0.204791D+01  0.481398D+01
      3   0.796789D+01  0.101366D+02  0.341454D+01 -0.656804D+00  0.407723D+00
      4   0.199124D+01 -0.234323D+02  0.150423D+01  0.722488D+01  0.175921D+01
      5  -0.412580D+00 -0.342407D+01 -0.112543D+01  0.276778D+01 -0.269324D+01
      6   0.406440D+01 -0.163421D+02 -0.117445D+01 -0.641161D+01  0.802019D+01
                66            67            68            69            70 
      1  -0.109533D+01 -0.470051D+01 -0.104144D+02 -0.481629D+01 -0.208239D+01
      2   0.106746D+02  0.103310D+01  0.124071D+02  0.756226D+01  0.964568D+01
      3  -0.957927D+01  0.366740D+01 -0.199264D+01 -0.274597D+01 -0.756329D+01
      4  -0.226399D+01 -0.202172D+01  0.144648D+02  0.116627D+02 -0.263994D+01
      5  -0.289245D+01 -0.192776D+01  0.157884D+01  0.277310D+01 -0.178886D+01
      6  -0.171605D+00  0.882356D+01  0.117780D+02  0.618742D+01 -0.164147D+01
                71            72            73            74            75 
      1  -0.242431D+01  0.771250D+00  0.153885D+02 -0.129647D+02  0.120906D+02
      2   0.190002D+01  0.567526D+01 -0.159546D+02  0.921827D+01 -0.111658D+02
      3   0.524289D+00 -0.644651D+01  0.566063D+00  0.374646D+01 -0.924769D+00
      4   0.602403D+01 -0.118473D+01 -0.507444D+01 -0.411064D+00 -0.938175D+00
      5   0.159151D+01 -0.507814D+01  0.109597D+02 -0.300386D+01  0.780980D+01
      6   0.338857D+01 -0.398626D+01 -0.737071D+01 -0.134677D+01 -0.136427D+01
                76            77            78            79            80 
      1  -0.604785D+01  0.205581D+01  0.179937D+01  0.524845D+01 -0.113171D+00
      2   0.439895D+01 -0.817683D+01  0.338937D+00 -0.560458D+01 -0.651385D+00
      3   0.164890D+01  0.612102D+01 -0.213831D+01  0.356138D+00  0.764556D+00
      4  -0.379369D+00  0.114403D+02  0.159341D+01 -0.109729D+01 -0.396558D-01
      5  -0.188961D+01  0.248630D+01 -0.160249D+01  0.563083D+01  0.271133D+00
      6  -0.200582D+00  0.448135D+01  0.364199D+01 -0.291857D+00  0.335553D+01
                81            82            83            84            85 
      1   0.997136D+01 -0.642557D+01 -0.143823D+01 -0.979864D+01 -0.688133D+00
      2   0.411499D+01  0.105936D+02  0.373776D+01  0.722163D+01 -0.560081D+00
      3  -0.140863D+02 -0.416804D+01 -0.229953D+01  0.257701D+01  0.124821D+01
      4   0.145242D+01 -0.108839D+02  0.629419D+01 -0.823823D+01  0.102259D+02
      5  -0.664400D+01 -0.247881D+01 -0.113402D+02  0.272409D+01 -0.107383D+02
      6   0.246151D+01 -0.382221D+01  0.511402D+01 -0.644170D+01  0.432323D+01
                86            87            88            89            90 
      1  -0.649386D+01 -0.510928D+01 -0.834190D+01 -0.535828D+01  0.574419D+01
      2   0.515320D+01 -0.456868D+01  0.423899D+01 -0.100245D+01  0.183344D+01
      3   0.134066D+01  0.967797D+01  0.410291D+01  0.636072D+01 -0.757763D+01
      4  -0.824603D+01  0.957087D+01 -0.309615D+01  0.621092D+01 -0.231958D+01
      5   0.455294D+01 -0.330493D+01  0.196328D+01 -0.902928D+00 -0.113787D+01
      6  -0.326500D+01  0.124330D+01 -0.417695D+01  0.127811D+00  0.601615D+01
                91            92            93            94            95 
      1  -0.756878D+01 -0.161771D+01  0.130439D+02 -0.158166D+01 -0.127219D+01
      2   0.201573D+01  0.215303D+01 -0.170182D+02  0.582715D+01  0.763021D+00
      3   0.555304D+01 -0.535321D+00  0.397436D+01 -0.424549D+01  0.509167D+00
      4   0.123602D+02 -0.812253D+01  0.832198D+01 -0.137640D+02  0.981320D+01
      5   0.323528D+01  0.127694D+02 -0.855373D+01  0.136180D+02 -0.120701D+02
      6   0.181681D+01 -0.144985D+02  0.931799D+01 -0.149367D+02  0.118755D+02
                96            97            98            99           100 
      1   0.634183D+01  0.154433D+02  0.740541D+01 -0.867525D+01  0.337880D+01
      2   0.664196D+01 -0.194339D+02  0.476553D+01  0.462647D+01 -0.311406D+01
      3  -0.129838D+02  0.399059D+01 -0.121709D+02  0.404877D+01 -0.264742D+00
      4  -0.199116D+02  0.129536D+02 -0.241398D+02  0.106354D+02 -0.322508D+01
      5   0.173600D+01 -0.130396D+02  0.422340D+01 -0.159160D+01 -0.119726D+01
      6  -0.495897D+01  0.117617D+02 -0.537261D+01  0.233064D+01  0.469374D+01
               101           102           103           104           105 
      1  -0.384482D+01 -0.104096D+02 -0.187115D+01  0.159901D+02  0.304868D+01
      2   0.584569D+01  0.193844D+02  0.288738D+00 -0.237774D+02 -0.135818D+02
      3  -0.200087D+01 -0.897479D+01  0.158241D+01  0.778725D+01  0.105331D+02
      4  -0.740738D+01  0.193044D+00 -0.320770D+01  0.105600D+02  0.198933D+02
      5  -0.328808D+01 -0.933646D+00 -0.346474D+01  0.873149D+01  0.416173D+01
      6   0.175465D+02 -0.344990D+01  0.169432D+02 -0.188464D+02 -0.113277D+02
               106           107           108           109           110 
      1  -0.132728D+02  0.756404D+01  0.997611D+01  0.270478D+01  0.523893D+01
      2   0.212955D+02 -0.176163D+02 -0.134391D+02 -0.208783D+01 -0.481054D+01
      3  -0.802267D+01  0.100523D+02  0.346300D+01 -0.616945D+00 -0.428394D+00
      4   0.173380D+01  0.235696D+02 -0.131123D+01 -0.720505D+01  0.183196D+01
      5  -0.430756D+00  0.353696D+01  0.115027D+01 -0.274667D+01 -0.266312D+01
      6  -0.389891D+01 -0.164339D+02 -0.124737D+01 -0.634024D+01 -0.809880D+01
               111           112           113           114           115 
      1   0.112330D+01  0.476626D+01 -0.102195D+02 -0.471905D+01  0.211146D+01
      2  -0.107024D+02 -0.108610D+01  0.121889D+02  0.738764D+01 -0.966237D+01
      3   0.957913D+01 -0.368015D+01 -0.196944D+01 -0.266859D+01  0.755091D+01
      4  -0.215556D+01 -0.196699D+01 -0.145254D+02 -0.117010D+02 -0.256308D+01
      5  -0.285890D+01 -0.189345D+01 -0.162654D+01 -0.280953D+01 -0.176767D+01
      6   0.105823D+00 -0.888914D+01  0.116935D+02  0.620571D+01  0.159175D+01
               116           117           118           119           120 
      1  -0.237802D+01  0.766491D+00  0.313005D+02 -0.245648D+01  0.102721D+02
      2   0.179288D+01  0.572487D+01 -0.178381D+02  0.514406D+01 -0.729159D+01
      3   0.585140D+00 -0.649137D+01 -0.134624D+02 -0.268759D+01 -0.298053D+01
      4  -0.605701D+01  0.112840D+01  0.158768D+02  0.728006D+01  0.321484D+01
      5  -0.162270D+01  0.508013D+01  0.104819D+02 -0.170752D+01  0.934943D+01
      6   0.342236D+01 -0.394148D+01  0.501561D+01 -0.638651D+00  0.525197D+01
               121           122           123           124           125 
      1  -0.826839D+01  0.644215D+01 -0.407768D+01  0.168028D+02 -0.307785D+01
      2   0.736493D+01 -0.577850D+01  0.260631D+01 -0.124014D+02  0.444100D+01
      3   0.903463D+00 -0.663650D+00  0.147137D+01 -0.440144D+01 -0.136315D+01
      4   0.352100D+01 -0.328408D+00  0.237971D-01  0.718266D+01  0.203422D+01
      5  -0.331842D+01  0.222078D+01 -0.217678D+01  0.130480D+02  0.294000D+00
      6  -0.161769D+01  0.586156D+00  0.291422D+00  0.749640D+01  0.202666D+01
               126           127           128           129           130 
      1   0.899884D+01  0.140244D+02  0.661325D+01 -0.364779D+01  0.271952D+01
      2  -0.747424D+01 -0.387309D-01  0.439744D+01 -0.763468D+00  0.997896D+01
      3  -0.152459D+01 -0.139857D+02 -0.110107D+02  0.441125D+01 -0.126985D+02
      4   0.560192D+01  0.278376D+02  0.224795D+02 -0.120187D+02  0.248799D+02
      5   0.123100D+02 -0.109288D+02 -0.890958D+01  0.971127D+01 -0.861770D+01
      6   0.776114D+01 -0.106641D+02 -0.914154D+01  0.814786D+01 -0.114194D+02
               131           132           133           134           135 
      1  -0.626460D+01  0.135264D+01 -0.266736D+01  0.154748D+01 -0.619059D-01
      2   0.232827D+02 -0.705684D+01 -0.296269D+01 -0.810374D+01  0.202713D+01
      3  -0.170181D+02  0.570420D+01  0.563005D+01  0.655626D+01 -0.196523D+01
      4   0.315267D+02 -0.139844D+02 -0.188770D+02 -0.194188D+02  0.164792D+02
      5  -0.109544D+02  0.780800D+01  0.144763D+02  0.117531D+02 -0.146675D+02
      6  -0.165420D+02  0.123339D+02  0.139918D+02  0.162247D+02 -0.171342D+02
               136           137           138           139           140 
      1  -0.522542D+01  0.851544D+01 -0.372579D+01  0.495383D+01 -0.155574D+02
      2   0.791332D+01 -0.152705D+02  0.613917D+01 -0.819934D+01  0.258413D+02
      3  -0.268789D+01  0.675506D+01 -0.241338D+01  0.324551D+01 -0.102839D+02
      4  -0.146467D+02  0.799341D+01 -0.601603D+01  0.633797D+01 -0.489878D+01
      5   0.147448D+01 -0.375148D+00  0.148450D+01 -0.401843D+00  0.932407D+00
      6  -0.744065D+01  0.655321D+01 -0.741485D+01  0.443998D+01 -0.719953D+01
               141           142           143           144           145 
      1   0.460866D+01 -0.632065D+01  0.959840D+01 -0.830264D+01 -0.176945D+01
      2  -0.632853D+01  0.690681D+01 -0.137275D+02  0.910549D+01  0.806333D+01
      3   0.171987D+01 -0.586153D+00  0.412908D+01 -0.802854D+00 -0.629389D+01
      4   0.374197D+01 -0.874132D+01  0.575386D+01 -0.487811D+01  0.119775D+02
      5   0.383538D+00  0.183278D+01  0.504384D+00 -0.203184D+00  0.330343D+01
      6   0.814216D+01 -0.686035D+01  0.136175D+02 -0.153490D+02  0.547945D+01
               146           147           148           149           150 
      1  -0.240988D+01 -0.167865D+01 -0.362977D+01 -0.316567D+02 -0.109359D+02
      2   0.108851D+02  0.440774D+01  0.104949D+02  0.587721D+02  0.178912D+02
      3  -0.847523D+01 -0.272910D+01 -0.686518D+01 -0.271154D+02 -0.695530D+01
      4   0.183321D+02  0.630755D+01  0.130105D+02  0.249007D+02  0.903119D+01
      5   0.507564D+01  0.440708D+01  0.309138D+01  0.860240D+01  0.497470D+01
      6   0.762192D+01  0.453253D+01  0.684284D+01  0.256346D+02  0.165872D+02
               151           152           153           154           155 
      1  -0.282992D+01 -0.166986D+02 -0.120793D+02 -0.532606D+01 -0.854792D+01
      2   0.569161D+01  0.253905D+02  0.146960D+02  0.801708D+01  0.152969D+02
      3  -0.286170D+01 -0.869194D+01 -0.261670D+01 -0.269102D+01 -0.674901D+01
      4   0.678355D+01  0.145318D+02  0.850484D+01  0.145151D+02  0.799625D+01
      5   0.430609D+01  0.770117D+01  0.676305D+01 -0.141820D+01 -0.358929D+00
      6   0.558441D+01  0.248878D+02  0.195178D+02 -0.736124D+01 -0.657458D+01
               156           157           158           159           160 
      1   0.376488D+01 -0.496840D+01 -0.157293D+02  0.464108D+01  0.636615D+01
      2  -0.619525D+01  0.819302D+01  0.261226D+02 -0.637868D+01 -0.696445D+01
      3   0.243037D+01 -0.322461D+01 -0.103934D+02  0.173760D+01  0.598297D+00
      4  -0.593411D+01  0.636545D+01  0.480900D+01 -0.373114D+01 -0.863818D+01
      5   0.144713D+01 -0.390903D+00 -0.893861D+00 -0.413749D+00  0.179547D+01
      6   0.735790D+01 -0.445537D+01 -0.723412D+01  0.818906D+01  0.677730D+01
               161           162           163           164           165 
      1   0.966891D+01 -0.833662D+01 -0.169322D+01  0.239399D+01  0.168205D+01
      2  -0.138261D+02  0.918364D+01  0.803674D+01 -0.109392D+02 -0.444849D+01
      3   0.415720D+01 -0.847021D+00 -0.634353D+01  0.854524D+01  0.276644D+01
      4  -0.571500D+01  0.477946D+01 -0.121638D+02  0.184404D+02  0.640605D+01
      5  -0.552136D+00  0.267189D+00 -0.338444D+01  0.515372D+01  0.447366D+01
      6   0.136596D+02 -0.152928D+02  0.556116D+01 -0.772787D+01 -0.462668D+01
               166           167           168           169           170 
      1   0.363962D+01 -0.313256D+02 -0.108637D+02  0.284851D+01 -0.165889D+02
      2  -0.105641D+02  0.582445D+02  0.177913D+02 -0.574661D+01  0.252475D+02
      3   0.692443D+01 -0.269189D+02 -0.692758D+01  0.289810D+01 -0.865860D+01
      4   0.131006D+02 -0.250706D+02 -0.913801D+01  0.690871D+01 -0.147067D+02
      5   0.315289D+01 -0.868601D+01 -0.503925D+01  0.438281D+01 -0.781454D+01
      6  -0.693299D+01  0.255683D+02  0.165867D+02 -0.570605D+01  0.248973D+02
               171           172           173           174           175 
      1  -0.120443D+02  0.314192D+02  0.249997D+01 -0.102569D+02  0.832254D+01
      2   0.146334D+02 -0.179427D+02 -0.513726D+01  0.729412D+01 -0.737007D+01
      3  -0.258905D+01 -0.134765D+02  0.263729D+01  0.296279D+01 -0.952470D+00
      4  -0.865258D+01 -0.157258D+02  0.724958D+01  0.312499D+01  0.351763D+01
      5  -0.688350D+01 -0.104599D+02 -0.174762D+01  0.933896D+01 -0.334828D+01
      6   0.195951D+02  0.495312D+01  0.652667D+00 -0.520206D+01  0.162388D+01
               176           177           178           179           180 
      1   0.656827D+01 -0.413701D+01 -0.167885D+02 -0.318010D+01  0.903202D+01
      2  -0.593915D+01  0.266298D+01  0.124081D+02  0.453585D+01 -0.752855D+01
      3  -0.629114D+00  0.147403D+01  0.438034D+01 -0.135575D+01 -0.150347D+01
      4   0.543936D+00 -0.734422D-01  0.703206D+01 -0.208544D+01 -0.547423D+01
      5  -0.231547D+01  0.225341D+01  0.130358D+02 -0.178282D+00 -0.123244D+02
      6   0.592990D+00  0.258823D+00 -0.742265D+01  0.197113D+01  0.769107D+01
               181           182           183           184           185 
      1   0.142703D+02 -0.670408D+01  0.372563D+01 -0.282645D+01 -0.607052D+01
      2  -0.171799D+00 -0.434810D+01  0.715237D+00 -0.990826D+01  0.230461D+02
      3  -0.140985D+02  0.110522D+02 -0.444086D+01  0.127347D+02 -0.169756D+02
      4  -0.279868D+02  0.225315D+02 -0.120658D+02  0.249531D+02 -0.315084D+02
      5   0.110213D+02 -0.895083D+01  0.975606D+01 -0.866281D+01  0.109428D+02
      6  -0.106949D+02  0.913492D+01 -0.814730D+01  0.114111D+02 -0.164216D+02
               186           187           188           189           190 
      1   0.125391D+01  0.278877D+01  0.140571D+01  0.546537D-01  0.196290D+02
      2  -0.694878D+01  0.286787D+01 -0.794420D+01  0.191877D+01 -0.159677D+02
      3   0.569486D+01 -0.565664D+01  0.653849D+01 -0.197342D+01 -0.366125D+01
      4   0.139681D+02 -0.189350D+02  0.193708D+02 -0.164654D+02  0.141228D+01
      5  -0.781219D+01  0.145447D+02 -0.117436D+02  0.146995D+02  0.149773D+02
      6   0.122678D+02 -0.139793D+02  0.161185D+02 -0.170514D+02  0.812888D+00
               191           192           193           194           195 
      1   0.505534D+01  0.726575D+01  0.767832D+01  0.552594D+01  0.354648D+01
      2  -0.674841D+01 -0.878961D+01 -0.851391D+01 -0.641719D+01 -0.555940D+01
      3   0.169307D+01  0.152386D+01  0.835598D+00  0.891243D+00  0.201292D+01
      4   0.579592D+01  0.176394D+01  0.999697D+00  0.688081D+01  0.797283D+00
      5   0.455566D+01  0.998142D+01  0.106192D+02  0.319041D+01  0.698275D+01
      6   0.148099D+01 -0.449964D+00  0.927310D+00  0.291881D+01  0.221840D+00
               196           197           198           199           200 
      1   0.324537D+01  0.120747D+01  0.205713D+01 -0.269337D+01 -0.221860D+01
      2  -0.656464D+01 -0.188581D+01 -0.778744D+01 -0.146634D+01  0.133257D+01
      3   0.331927D+01  0.678346D+00  0.573031D+01  0.415971D+01  0.886033D+00
      4   0.303087D+01  0.523728D+00  0.195875D+01  0.602896D+01 -0.281083D+01
      5   0.749770D+01  0.340731D+01  0.859064D+01 -0.239933D+01  0.212674D+01
      6   0.420557D+00  0.125625D+01 -0.525478D+00  0.306197D-02 -0.311313D+01
               201           202           203           204           205 
      1   0.675211D+01 -0.433273D+00 -0.490231D+01  0.602189D+01  0.258123D+01
      2   0.958237D+00 -0.418924D+00  0.196143D+01 -0.948538D+00 -0.137599D+01
      3  -0.771035D+01  0.852196D+00  0.294088D+01 -0.507336D+01 -0.120525D+01
      4   0.409891D+00  0.125540D+01 -0.163150D+01  0.500414D+00 -0.292394D+01
      5  -0.276045D+00  0.352715D+00  0.914589D+00 -0.164637D+01  0.413364D+01
      6   0.550739D+01 -0.529162D+00 -0.582167D+01  0.827263D+01 -0.288902D+00
               206           207           208           209           210 
      1   0.522145D+01 -0.173097D+02 -0.425078D+00 -0.692981D+01 -0.421229D+01
      2  -0.133241D+00 -0.108488D+02  0.850762D-01  0.896521D+01  0.183321D+01
      3  -0.508821D+01  0.281585D+02  0.340002D+00 -0.203541D+01  0.237907D+01
      4   0.282652D+01  0.571857D+00  0.170737D+02  0.700937D+01  0.770043D+01
      5  -0.213069D+01  0.106896D+02  0.880065D+01  0.536361D+01  0.535468D+01
      6   0.698666D+01 -0.165877D+02  0.912677D+01  0.105471D+02  0.963729D+01
               211           212           213           214           215 
      1  -0.184973D+01 -0.293676D+01 -0.161491D+01 -0.165011D+01 -0.119653D+01
      2   0.275239D+01  0.646942D+01  0.121149D+01 -0.657903D+00 -0.144308D+01
      3  -0.902655D+00 -0.353266D+01  0.403420D+00  0.230801D+01  0.263961D+01
      4   0.732041D+01  0.764535D+01  0.468666D+01  0.422352D+01  0.404271D+01
      5   0.295775D+01  0.297100D+01  0.229782D+01  0.444486D+01  0.212710D+01
      6   0.514700D+01  0.470566D+01  0.495357D+01  0.534213D+01  0.462588D+01
               216           217           218           219           220 
      1  -0.372555D+01 -0.486018D+00  0.307789D+01  0.225971D+01  0.227020D+00
      2  -0.185715D+01 -0.344956D+01 -0.400575D+01  0.584626D+01 -0.129001D+01
      3   0.558270D+01  0.393557D+01  0.927857D+00 -0.810597D+01  0.106299D+01
      4   0.528738D+01 -0.347626D+01  0.407820D+01  0.427622D+01  0.439032D+00
      5   0.358208D+01 -0.474114D+01  0.175471D+01  0.791849D+01  0.357116D+00
      6   0.801399D+01  0.419726D+01 -0.293776D+01 -0.658724D+01 -0.564556D-01
               221           222           223           224           225 
      1   0.288755D+01  0.157021D+01  0.166662D+01 -0.449239D+01 -0.113048D+02
      2  -0.595133D+01  0.218597D+01  0.348129D+01  0.284700D+01 -0.154980D+02
      3   0.306378D+01 -0.375618D+01 -0.514792D+01  0.164540D+01  0.268028D+02
      4   0.195733D+01  0.729143D+00  0.342275D+01 -0.175166D+01 -0.266720D+01
      5  -0.131066D+01  0.888784D+00  0.539851D+01 -0.105666D+01 -0.940551D+01
      6  -0.210340D+01  0.501450D+00 -0.309314D+01  0.602041D+01  0.178119D+02
               226           227           228           229           230 
      1  -0.961232D+00 -0.420834D+00 -0.140725D+01 -0.540706D+01 -0.111516D+02
      2   0.439759D+01 -0.223662D+01  0.174640D+01  0.135352D+01  0.203210D+02
      3  -0.343636D+01  0.265745D+01 -0.339149D+00  0.405354D+01 -0.916949D+01
      4  -0.297862D+01  0.509649D+01  0.268557D+00  0.802464D+01 -0.202554D+02
      5  -0.165547D+01 -0.271202D+00 -0.242255D+00 -0.461436D+01  0.263450D+01
      6   0.369712D+00  0.418302D+00 -0.193119D+00  0.351469D+01 -0.116889D+02
               231           232           233           234           235 
      1   0.149772D+01 -0.524068D+01  0.218458D+01 -0.404601D+01 -0.291362D+01
      2  -0.147604D+00  0.361753D+01  0.764296D+00  0.235501D+01  0.411475D-01
      3  -0.135012D+01  0.162315D+01 -0.294887D+01  0.169100D+01  0.287247D+01
      4   0.398314D+01  0.175481D+01 -0.199786D+01 -0.191641D+01  0.105153D+01
      5  -0.440643D+01 -0.142681D+01 -0.179844D+01 -0.986155D-01  0.404670D-01
      6   0.512721D+01  0.102951D+00  0.259390D+01 -0.182968D+01  0.134418D+01
               236           237           238           239           240 
      1   0.100420D+01  0.326802D+01  0.364321D+01 -0.344216D+01  0.118363D+01
      2  -0.162733D+01  0.937127D+00 -0.366550D+01  0.633126D+00 -0.319554D+01
      3   0.623125D+00 -0.420515D+01  0.222879D-01  0.280904D+01  0.201191D+01
      4  -0.600021D+00  0.195503D+00  0.660111D+00 -0.860902D+00  0.224394D+01
      5   0.129160D+01  0.175483D+01  0.188943D+01  0.149457D+01  0.158554D+01
      6  -0.691211D+00  0.168565D+01  0.274830D-01 -0.190678D+01  0.442269D+01
               241           242           243           244           245 
      1   0.381041D+01  0.356642D+01 -0.196107D+02 -0.285099D+00  0.694621D+01
      2  -0.545217D+01  0.719946D+00 -0.153681D+02 -0.583127D-01 -0.899818D+01
      3   0.164176D+01 -0.428637D+01  0.349788D+02  0.343412D+00  0.205197D+01
      4  -0.154263D+01  0.330347D+01 -0.242050D+01 -0.171254D+02  0.704934D+01
      5   0.652715D+01 -0.360818D+01  0.204680D+02 -0.889141D+01  0.536452D+01
      6  -0.134033D+01  0.513609D+01 -0.957850D+01  0.915372D+01 -0.105344D+02
               246           247           248           249           250 
      1   0.415897D+01  0.184573D+01 -0.283043D+01 -0.157963D+01  0.161894D+01
      2  -0.177557D+01 -0.276543D+01  0.634658D+01  0.117931D+01  0.700335D+00
      3  -0.238340D+01  0.919691D+00 -0.351616D+01  0.400313D+00 -0.231927D+01
      4   0.775284D+01  0.730534D+01 -0.762927D+01 -0.467442D+01  0.424969D+01
      5   0.541056D+01  0.294050D+01 -0.296877D+01 -0.229243D+01  0.448033D+01
      6  -0.964735D+01 -0.513312D+01  0.463572D+01  0.492329D+01 -0.534685D+01
               251           252           253           254           255 
      1  -0.118297D+01 -0.370118D+01 -0.494393D+00 -0.312536D+01 -0.229999D+01
      2  -0.145878D+01 -0.188803D+01 -0.345131D+01  0.404453D+01 -0.583259D+01
      3   0.264175D+01  0.558921D+01  0.394571D+01 -0.919167D+00  0.813258D+01
      4  -0.403180D+01 -0.529844D+01  0.348452D+01  0.407935D+01  0.431005D+01
      5  -0.212629D+01 -0.361466D+01  0.473618D+01  0.176709D+01  0.791799D+01
      6   0.462121D+01  0.802484D+01  0.422027D+01  0.297666D+01  0.664589D+01
               256           257           258           259           260 
      1  -0.247274D+00  0.288990D+01  0.155354D+01 -0.168014D+01 -0.452438D+01
      2   0.130747D+01 -0.593934D+01  0.214733D+01 -0.347741D+01  0.284010D+01
      3  -0.106019D+01  0.304944D+01 -0.370087D+01  0.515755D+01  0.168428D+01
      4   0.461571D+00 -0.189788D+01 -0.711875D+00  0.343792D+01  0.174674D+01
      5   0.370097D+00  0.132810D+01 -0.857584D+00  0.539430D+01  0.106595D+01
      6   0.850712D-01 -0.206817D+01  0.538191D+00  0.311057D+01  0.605950D+01
               261           262           263           264           265 
      1  -0.113226D+02  0.197368D+02 -0.504710D+01 -0.728479D+01 -0.764201D+01
      2  -0.154486D+02 -0.160221D+02  0.670716D+01  0.879960D+01  0.843886D+01
      3   0.267712D+02 -0.371469D+01 -0.166007D+01 -0.151481D+01 -0.796854D+00
      4   0.270857D+01 -0.134710D+01  0.587371D+01  0.167850D+01  0.103042D+01
      5   0.936604D+01 -0.149824D+02  0.446648D+01  0.997233D+01  0.105292D+02
      6   0.178836D+02  0.776956D+00 -0.146451D+01  0.470943D+00 -0.893319D+00
               266           267           268           269           270 
      1   0.549992D+01  0.353891D+01 -0.326223D+01  0.121504D+01  0.206851D+01
      2  -0.624543D+01 -0.556516D+01  0.656886D+01 -0.192246D+01 -0.771619D+01
      3   0.745505D+00  0.202625D+01 -0.330663D+01  0.707417D+00  0.564768D+01
      4  -0.709995D+01 -0.634263D+00  0.298650D+01 -0.351681D+00 -0.199090D+01
      5  -0.297485D+01 -0.698549D+01  0.748288D+01 -0.346052D+01 -0.848030D+01
      6   0.285658D+01  0.208288D+00 -0.413806D+00  0.125493D+01 -0.549291D+00
               271           272           273           274           275 
      1  -0.264792D+01  0.221734D+01 -0.674753D+01  0.417844D+00 -0.487399D+01
      2  -0.151523D+01 -0.135621D+01 -0.959556D+00  0.417271D+00  0.193480D+01
      3   0.416315D+01 -0.861131D+00  0.770709D+01 -0.835115D+00  0.293918D+01
      4  -0.601241D+01 -0.282760D+01  0.398711D+00  0.121648D+01  0.161391D+01
      5   0.237688D+01  0.213240D+01 -0.262203D+00  0.369683D+00 -0.898560D+00
      6   0.133666D-01  0.310985D+01 -0.549644D+01  0.534806D+00 -0.577142D+01
               276           277           278           279           280 
      1   0.596576D+01 -0.256164D+01  0.519201D+01 -0.173027D+02  0.601847D+01
      2  -0.946112D+00  0.137296D+01 -0.146658D+00 -0.109238D+02 -0.317721D+01
      3  -0.501965D+01  0.118867D+01 -0.504536D+01  0.282265D+02 -0.284126D+01
      4  -0.492815D+00 -0.293998D+01 -0.283271D+01 -0.588668D+00  0.439273D+01
      5   0.161975D+01  0.414699D+01  0.212526D+01 -0.107114D+02  0.771365D+01
      6   0.821986D+01  0.307949D+00  0.696418D+01 -0.165903D+02  0.207253D+01
               281           282           283           284           285 
      1   0.343496D+01  0.653365D+01  0.756353D+01 -0.547546D+00 -0.207059D+01
      2  -0.123335D+01 -0.355764D+01 -0.377582D+01  0.359686D+01 -0.347802D+00
      3  -0.220161D+01 -0.297601D+01 -0.378771D+01 -0.304931D+01  0.241839D+01
      4   0.514193D+01  0.186754D+01  0.114175D+02  0.240104D+02  0.120443D+02
      5   0.246733D+01  0.487160D+01  0.618013D+01  0.127801D+02  0.142161D+02
      6   0.872106D+00  0.739107D+00  0.422744D+01  0.117347D+02  0.810270D+01
               286           287           288           289           290 
      1   0.805745D+01 -0.193241D+01 -0.888351D+00  0.637134D+02 -0.159579D+02
      2  -0.591621D+01 -0.876132D+00 -0.363443D+01 -0.349183D+02  0.769599D+01
      3  -0.214124D+01  0.280854D+01  0.452278D+01 -0.287951D+02  0.826194D+01
      4   0.350791D+01  0.883524D+01  0.882464D+01 -0.208290D+02  0.129790D+02
      5   0.838430D+01  0.924842D+01  0.133098D+02  0.264728D+02 -0.700733D+01
      6   0.221113D+01  0.733828D+01  0.680684D+01 -0.452761D+01  0.293996D+01
               291           292           293           294           295 
      1   0.163232D+02 -0.253473D+02  0.124746D+02 -0.670889D+01  0.144144D+02
      2  -0.105718D+02  0.126322D+02 -0.514997D+01  0.455766D+01 -0.112736D+02
      3  -0.575133D+01  0.127151D+02 -0.732464D+01  0.215123D+01 -0.314083D+01
      4  -0.600342D+01  0.197759D+02 -0.134736D+02  0.868536D+01 -0.566293D+01
      5   0.165835D+02 -0.120079D+02  0.964909D+01 -0.764803D+01  0.204710D+02
      6  -0.188551D+01  0.536630D+01 -0.355933D+01  0.426609D+01 -0.304005D+01
               296           297           298           299           300 
      1  -0.352829D+01  0.115340D+02  0.634764D+02  0.160930D+02 -0.162058D+02
      2   0.319076D+01 -0.936723D+01 -0.346816D+02 -0.771854D+01  0.104614D+02
      3   0.337529D+00 -0.216673D+01 -0.287949D+02 -0.837442D+01  0.574449D+01
      4   0.576640D+01 -0.564273D+01  0.211278D+02  0.131351D+02 -0.605412D+01
      5  -0.600264D+01  0.128629D+02 -0.262844D+02 -0.703702D+01  0.164800D+02
      6   0.365286D+01 -0.275774D+01 -0.457869D+01 -0.296448D+01  0.192180D+01
               301           302           303           304           305 
      1   0.254602D+02  0.125707D+02 -0.669264D+01 -0.143055D+02 -0.352682D+01
      2  -0.126125D+02 -0.512761D+01  0.451831D+01  0.111625D+02  0.317749D+01
      3  -0.128477D+02 -0.744312D+01  0.217433D+01  0.314295D+01  0.349338D+00
      4   0.199937D+02  0.136956D+02 -0.873309D+01 -0.572206D+01 -0.580360D+01
      5  -0.120166D+02 -0.968468D+01  0.767383D+01  0.203707D+02  0.605429D+01
      6  -0.540190D+01 -0.361553D+01  0.428573D+01  0.309703D+01  0.367926D+01
               306           307           308           309           310 
      1   0.114682D+02  0.609649D+01 -0.351640D+01 -0.652881D+01 -0.772108D+01
      2  -0.928213D+01 -0.318293D+01  0.130218D+01  0.356239D+01  0.390411D+01
      3  -0.218603D+01 -0.291356D+01  0.221422D+01  0.296642D+01  0.381697D+01
      4   0.571485D+01 -0.444081D+01  0.524618D+01  0.189189D+01  0.115212D+02
      5  -0.127670D+02 -0.773366D+01  0.253113D+01  0.493521D+01  0.628038D+01
      6  -0.279461D+01  0.208022D+01 -0.907028D+00 -0.764589D+00 -0.425153D+01
               311           312           313           314           315 
      1  -0.366635D+00 -0.194210D+01 -0.807415D+01 -0.185834D+01 -0.790658D+00
      2   0.344389D+01 -0.448288D+00  0.593951D+01 -0.933086D+00 -0.369892D+01
      3  -0.307725D+01  0.239039D+01  0.213463D+01  0.279143D+01  0.448958D+01
      4  -0.240094D+02 -0.120548D+02  0.350913D+01 -0.883553D+01 -0.882415D+01
      5  -0.127919D+02 -0.142466D+02  0.844066D+01 -0.925549D+01 -0.133354D+02
      6   0.116546D+02  0.803036D+01 -0.222378D+01  0.728550D+01  0.674473D+01
               316           317           318           319           320 
      1  -0.287245D+01 -0.100940D+01 -0.325531D+01 -0.366098D+01 -0.345398D+01
      2   0.739621D-02  0.162005D+01 -0.916726D+00  0.368598D+01  0.648485D+00
      3   0.286505D+01 -0.610647D+00  0.417204D+01 -0.250016D-01  0.280550D+01
      4  -0.106407D+01 -0.616925D+00  0.197056D+00  0.625058D+00  0.831276D+00
      5  -0.669508D-01  0.129390D+01  0.178218D+01  0.191074D+01 -0.147788D+01
      6   0.135180D+01  0.696869D+00 -0.168035D+01 -0.111262D-01 -0.188368D+01
               321           322           323           324           325 
      1   0.115249D+01 -0.379840D+01  0.353402D+01 -0.196011D+02 -0.101262D+01
      2  -0.323283D+01  0.545529D+01  0.705495D+00 -0.153920D+02  0.439899D+01
      3   0.208034D+01 -0.165689D+01 -0.423951D+01  0.349931D+02 -0.338637D+01
      4  -0.223084D+01 -0.156052D+01 -0.329957D+01  0.238591D+01  0.292679D+01
      5  -0.163649D+01  0.653494D+01  0.359137D+01 -0.204952D+02  0.166543D+01
      6   0.439747D+01  0.134850D+01  0.513062D+01 -0.958383D+01  0.365736D+00
               326           327           328           329           330 
      1   0.417527D+00  0.138977D+01  0.537807D+01 -0.112820D+02  0.156892D+01
      2   0.222407D+01 -0.172679D+01 -0.132780D+01  0.204190D+02 -0.235221D+00
      3  -0.264160D+01  0.337019D+00 -0.405027D+01 -0.913695D+01 -0.133370D+01
      4   0.498740D+01  0.277786D+00  0.795342D+01  0.202307D+02 -0.399539D+01
      5  -0.252270D+00 -0.250817D+00 -0.459144D+01 -0.265698D+01  0.439375D+01
      6  -0.353848D+00  0.182056D+00 -0.347346D+01 -0.117911D+02  0.516141D+01
               331           332           333 
      1   0.520800D+01  0.221688D+01 -0.406098D+01
      2  -0.358950D+01  0.719335D+00  0.234968D+01
      3  -0.161850D+01 -0.293622D+01  0.171130D+01
      4   0.175947D+01  0.198431D+01  0.190484D+01
      5  -0.141486D+01  0.178391D+01  0.787674D-01
      6  -0.104543D+00  0.261172D+01 -0.185508D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 18:00:15 2021, MaxMem= 16106127360 cpu:           46916.7 elap:            2939.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92625 -14.92623 -14.92623 -14.92620 -14.92612
 Alpha  occ. eigenvalues --  -14.92607 -10.74425 -10.74424 -10.74404 -10.74402
 Alpha  occ. eigenvalues --  -10.74376 -10.74355  -3.82990  -2.57235  -2.57231
 Alpha  occ. eigenvalues --   -2.56800  -1.46309  -1.45139  -1.45114  -1.42494
 Alpha  occ. eigenvalues --   -1.42474  -1.42416  -1.24600  -1.24378  -1.24367
 Alpha  occ. eigenvalues --   -1.12800  -1.12272  -1.12194  -1.05679  -1.05544
 Alpha  occ. eigenvalues --   -1.04768  -1.03528  -1.03503  -1.03320  -1.02432
 Alpha  occ. eigenvalues --   -1.02242  -1.01621  -0.95869  -0.95829  -0.95230
 Alpha  occ. eigenvalues --   -0.94713  -0.94422  -0.94214  -0.92193  -0.91241
 Alpha  occ. eigenvalues --   -0.91172  -0.87410  -0.87265  -0.86124  -0.85854
 Alpha  occ. eigenvalues --   -0.85698  -0.84801  -0.82774  -0.82063  -0.81969
 Alpha  occ. eigenvalues --   -0.79909  -0.79889  -0.79726
 Alpha virt. eigenvalues --   -0.40722  -0.40682  -0.32826  -0.31022  -0.29959
 Alpha virt. eigenvalues --   -0.29846  -0.26600  -0.26376  -0.26019  -0.24441
 Alpha virt. eigenvalues --   -0.23864  -0.23442  -0.23099  -0.22298  -0.20878
 Alpha virt. eigenvalues --   -0.20262  -0.20184  -0.20072  -0.19134  -0.19081
 Alpha virt. eigenvalues --   -0.18543  -0.17444  -0.17280  -0.16809  -0.16695
 Alpha virt. eigenvalues --   -0.16190  -0.15970  -0.15271  -0.14932  -0.14584
 Alpha virt. eigenvalues --   -0.13208  -0.13081  -0.12814  -0.12690  -0.12235
 Alpha virt. eigenvalues --   -0.12158  -0.11592  -0.11468  -0.11215  -0.10745
 Alpha virt. eigenvalues --   -0.10500  -0.09915  -0.09612  -0.08943  -0.08332
 Alpha virt. eigenvalues --   -0.07754  -0.07561  -0.07059  -0.06865  -0.06268
 Alpha virt. eigenvalues --   -0.05234  -0.05176  -0.04570  -0.04215  -0.02790
 Alpha virt. eigenvalues --   -0.02751  -0.02217  -0.01428  -0.01295  -0.00959
 Alpha virt. eigenvalues --   -0.00677  -0.00287   0.01362   0.01447   0.01775
 Alpha virt. eigenvalues --    0.02521   0.02614   0.02737   0.03569   0.04050
 Alpha virt. eigenvalues --    0.04727   0.04863   0.05256   0.05425   0.05753
 Alpha virt. eigenvalues --    0.06191   0.06492   0.06635   0.07609   0.07752
 Alpha virt. eigenvalues --    0.08390   0.08618   0.08844   0.09125   0.09533
 Alpha virt. eigenvalues --    0.09756   0.10100   0.10415   0.10788   0.11063
 Alpha virt. eigenvalues --    0.11494   0.12452   0.12539   0.13063   0.13348
 Alpha virt. eigenvalues --    0.13411   0.13949   0.14329   0.14434   0.14641
 Alpha virt. eigenvalues --    0.15954   0.16313   0.16822   0.17635   0.17939
 Alpha virt. eigenvalues --    0.18083   0.18330   0.18546   0.19405   0.19476
 Alpha virt. eigenvalues --    0.20010   0.20324   0.20938   0.21261   0.21416
 Alpha virt. eigenvalues --    0.21455   0.21955   0.22285   0.22584   0.22901
 Alpha virt. eigenvalues --    0.23182   0.23521   0.23617   0.23993   0.24208
 Alpha virt. eigenvalues --    0.24960   0.25310   0.25757   0.25873   0.26260
 Alpha virt. eigenvalues --    0.26728   0.26954   0.27578   0.27833   0.28274
 Alpha virt. eigenvalues --    0.28851   0.28942   0.30246   0.30815   0.30996
 Alpha virt. eigenvalues --    0.31297   0.31780   0.32282   0.32901   0.33154
 Alpha virt. eigenvalues --    0.33929   0.34558   0.34626   0.34788   0.35907
 Alpha virt. eigenvalues --    0.36298   0.36689   0.37287   0.38243   0.38836
 Alpha virt. eigenvalues --    0.39236   0.41368   0.41415   0.41604   0.41817
 Alpha virt. eigenvalues --    0.42331   0.43251   0.43387   0.43895   0.43925
 Alpha virt. eigenvalues --    0.44530   0.45717   0.47055   0.47323   0.48011
 Alpha virt. eigenvalues --    0.48182   0.49341   0.49670   0.50816   0.50893
 Alpha virt. eigenvalues --    0.51873   0.53162   0.53678   0.54488   0.55435
 Alpha virt. eigenvalues --    0.55901   0.56318   0.57684   0.58873   0.60104
 Alpha virt. eigenvalues --    0.60699   0.62110   0.62447   0.62837   0.64256
 Alpha virt. eigenvalues --    0.65116   0.65723   0.67627   0.68066   0.68736
 Alpha virt. eigenvalues --    0.69055   0.70209   0.70716   0.70995   0.71460
 Alpha virt. eigenvalues --    0.71591   0.72678   0.72901   0.73877   0.74346
 Alpha virt. eigenvalues --    0.74564   0.74716   0.76290   0.76953   0.77459
 Alpha virt. eigenvalues --    0.77972   0.78865   0.79030   0.81285   0.82542
 Alpha virt. eigenvalues --    0.84311   0.85116   0.86101   0.86392   0.86937
 Alpha virt. eigenvalues --    0.87485   0.87776   0.89092   0.90279   0.91190
 Alpha virt. eigenvalues --    0.92399   0.93562   0.94197   0.97314   0.99462
 Alpha virt. eigenvalues --    0.99974   1.02537   1.02660   1.03906   1.06486
 Alpha virt. eigenvalues --    1.06808   1.08526   1.10779   1.11574   1.13548
 Alpha virt. eigenvalues --    1.13863   1.14355   1.15341   1.20101   1.22042
 Alpha virt. eigenvalues --    1.22094   1.25641   1.25726   1.26806   1.27314
 Alpha virt. eigenvalues --    1.27443   1.29242   1.29351   1.31466   1.33932
 Alpha virt. eigenvalues --    1.34144   1.35250   1.35290   1.36597   1.39968
 Alpha virt. eigenvalues --    1.40432   1.41979   1.42589   1.43626   1.43923
 Alpha virt. eigenvalues --    1.44348   1.46508   1.46559   1.48297   1.50509
 Alpha virt. eigenvalues --    1.50592   1.50654   1.51331   1.53165   1.53183
 Alpha virt. eigenvalues --    1.54339   1.56515   1.58254   1.59038   1.60565
 Alpha virt. eigenvalues --    1.60566   1.60725   1.62252   1.62733   1.63001
 Alpha virt. eigenvalues --    1.64029   1.64752   1.66169   1.66484   1.66986
 Alpha virt. eigenvalues --    1.68572   1.69326   1.71030   1.71429   1.71730
 Alpha virt. eigenvalues --    1.73896   1.75517   1.75966   1.76657   1.77048
 Alpha virt. eigenvalues --    1.77818   1.77905   1.78556   1.78762   1.79437
 Alpha virt. eigenvalues --    1.79465   1.81316   1.83352   1.83745   1.84704
 Alpha virt. eigenvalues --    1.85484   1.86218   1.87615   1.88572   1.88981
 Alpha virt. eigenvalues --    1.89052   1.89963   1.91187   1.91650   1.92158
 Alpha virt. eigenvalues --    1.92558   1.92699   1.93125   1.96700   1.97138
 Alpha virt. eigenvalues --    1.97696   1.99222   2.00217   2.01474   2.03181
 Alpha virt. eigenvalues --    2.03737   2.04967   2.06198   2.07348   2.09045
 Alpha virt. eigenvalues --    2.09228   2.10389   2.10634   2.12780   2.13039
 Alpha virt. eigenvalues --    2.14190   2.14818   2.17750   2.18924   2.19502
 Alpha virt. eigenvalues --    2.20763   2.21300   2.23045   2.23631   2.23938
 Alpha virt. eigenvalues --    2.24133   2.24525   2.25266   2.25694   2.26750
 Alpha virt. eigenvalues --    2.31588   2.32322   2.33015   2.34236   2.34971
 Alpha virt. eigenvalues --    2.35014   2.37714   2.41521   2.42291   2.46366
 Alpha virt. eigenvalues --    2.47169   2.47592   2.49258   2.49618   2.50701
 Alpha virt. eigenvalues --    2.51264   2.52688   2.53290   2.54238   2.54435
 Alpha virt. eigenvalues --    2.55715   2.57079   2.59929   2.59941   2.65066
 Alpha virt. eigenvalues --    2.65605   2.68408   2.68505   2.72632   2.72647
 Alpha virt. eigenvalues --    2.77914   2.78575   2.79348   2.86821   2.88456
 Alpha virt. eigenvalues --    2.88677   2.88715   2.89124   2.89860   3.01404
 Alpha virt. eigenvalues --    3.06610   3.07000   3.08538   3.09687   3.10252
 Alpha virt. eigenvalues --    3.10920   3.29189   3.31230   3.31444   3.32277
 Alpha virt. eigenvalues --    3.35558   3.36288  49.33071
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.544274   0.190352   0.137990   0.079844  -0.006924  -0.000119
     2  C    0.190352   4.543429  -0.512883   0.079542  -0.007556   0.000159
     3  N    0.137990  -0.512883  12.064753  -1.523067  -0.073505   0.000399
     4  Rh   0.079844   0.079542  -1.523067  19.670490  -1.303132   0.088665
     5  N   -0.006924  -0.007556  -0.073505  -1.303132  11.194364  -0.422368
     6  C   -0.000119   0.000159   0.000399   0.088665  -0.422368   4.546965
     7  C   -0.000492  -0.001102  -0.007977   0.053136   0.099172   0.188133
     8  N    0.012716   0.033585  -0.147597  -1.405003  -0.023316   0.072783
     9  N   -0.513230   0.138074  -0.183677  -1.524789  -0.028924   0.007936
    10  N   -0.007570  -0.006957  -0.026327  -1.300762   0.105655   0.023115
    11  C    0.000162  -0.000109   0.007515   0.088641   0.023259  -0.005194
    12  C   -0.001125  -0.000506   0.001784   0.053156  -0.005482  -0.000096
    13  N    0.033966   0.012671   0.267028  -1.404722  -0.111589  -0.001261
    14  H    0.000183   0.000062   0.001098   0.072258  -0.150793   0.284741
    15  H   -0.000050   0.000019   0.000505   0.032193  -0.141036   0.398911
    16  H    0.002049   0.000358   0.001703   0.063416  -0.053142   0.012686
    17  H   -0.000314  -0.000392   0.001241   0.042711   0.026678  -0.005365
    18  H    0.000368   0.002013  -0.032386   0.063653  -0.003919   0.000056
    19  H   -0.000393  -0.000313  -0.002011   0.042606   0.006740  -0.000027
    20  H    0.000064   0.000183  -0.004898   0.072463  -0.017412   0.001492
    21  H    0.000019  -0.000049   0.008682   0.031996  -0.005808  -0.000050
    22  H    0.000098   0.000490   0.012028   0.226203  -0.060415   0.013138
    23  H    0.000268   0.002087  -0.047886   0.168251  -0.000138  -0.003711
    24  H    0.001292  -0.006239  -0.087379   0.256399   0.008285  -0.000123
    25  H   -0.003574  -0.003677  -0.030472   0.189440   0.011818   0.000641
    26  H    0.085577  -0.037810   0.016397   0.151129  -0.023023   0.001630
    27  H    0.162337  -0.023306   0.030129   0.253260  -0.007206  -0.004160
    28  H   -0.006256   0.001347   0.016661   0.257173   0.016170  -0.011013
    29  H   -0.003662  -0.003514  -0.009143   0.188709  -0.018624  -0.019019
    30  H    0.000480   0.000102   0.001239   0.226484  -0.652688   0.134394
    31  H    0.002087   0.000267  -0.000554   0.168839  -0.235640   0.077307
    32  H    0.244060   0.008478  -0.064535   0.085138   0.002173  -0.000081
    33  H    0.431843  -0.010639   0.035365   0.036653   0.000587  -0.000043
    34  H   -0.010065   0.430746  -0.189350   0.036860   0.000515  -0.000031
    35  H    0.007724   0.245523  -0.162363   0.084559   0.000385   0.000256
    36  H   -0.023346   0.162435  -0.756571   0.252746   0.001548  -0.000276
    37  H   -0.037727   0.085839  -0.435095   0.150922  -0.001555  -0.000286
               7          8          9         10         11         12
     1  C   -0.000492   0.012716  -0.513230  -0.007570   0.000162  -0.001125
     2  C   -0.001102   0.033585   0.138074  -0.006957  -0.000109  -0.000506
     3  N   -0.007977  -0.147597  -0.183677  -0.026327   0.007515   0.001784
     4  Rh   0.053136  -1.405003  -1.524789  -1.300762   0.088641   0.053156
     5  N    0.099172  -0.023316  -0.028924   0.105655   0.023259  -0.005482
     6  C    0.188133   0.072783   0.007936   0.023115  -0.005194  -0.000096
     7  C    4.561761  -0.350055   0.001488  -0.005614  -0.000079  -0.000256
     8  N   -0.350055  11.490043   0.268322  -0.111013  -0.001276  -0.003755
     9  N    0.001488   0.268322  12.072531  -0.073755   0.000421  -0.007776
    10  N   -0.005614  -0.111013  -0.073755  11.177756  -0.420733   0.099231
    11  C   -0.000079  -0.001276   0.000421  -0.420733   4.546983   0.188223
    12  C   -0.000256  -0.003755  -0.007776   0.099231   0.188223   4.560863
    13  N   -0.003778  -0.081669  -0.149661  -0.023765   0.072600  -0.351209
    14  H   -0.014025  -0.045436  -0.004908  -0.017193   0.001459   0.000206
    15  H    0.016077   0.028807   0.008760  -0.005852  -0.000052   0.000032
    16  H    0.251532  -0.135128  -0.032922  -0.003887   0.000055   0.000045
    17  H    0.418982  -0.180660  -0.001975   0.006670  -0.000028   0.000003
    18  H    0.000045   0.000299   0.001730  -0.053088   0.012289   0.252707
    19  H    0.000002   0.000529   0.001253   0.026598  -0.005127   0.418153
    20  H    0.000214   0.002884   0.001108  -0.150358   0.283659  -0.013659
    21  H    0.000031   0.000754   0.000509  -0.139948   0.399629   0.015655
    22  H   -0.001055  -0.014630   0.001271  -0.649607   0.134056  -0.016546
    23  H    0.000641  -0.009740  -0.000550  -0.232624   0.076961  -0.023690
    24  H    0.000044   0.002718   0.016806   0.016103  -0.011058   0.109025
    25  H    0.000149   0.002248  -0.008853  -0.018658  -0.018889   0.064252
    26  H    0.007326  -0.023797  -0.436919  -0.001537  -0.000291   0.000159
    27  H   -0.000736  -0.019057  -0.758721   0.001568  -0.000276   0.002246
    28  H    0.108654  -0.705685  -0.087820   0.008247  -0.000122   0.000046
    29  H    0.064041  -0.349688  -0.030508   0.012234   0.000620   0.000137
    30  H   -0.016491   0.016144   0.012444  -0.060651   0.013221  -0.001085
    31  H   -0.023694  -0.007275  -0.047405  -0.000125  -0.003733   0.000610
    32  H    0.000545  -0.001161  -0.163300   0.000392   0.000259   0.002159
    33  H   -0.000300   0.001506  -0.188594   0.000519  -0.000032  -0.000013
    34  H   -0.000009   0.004400   0.034915   0.000583  -0.000041  -0.000296
    35  H    0.002140  -0.040719  -0.063870   0.002143  -0.000081   0.000543
    36  H    0.002269  -0.006065   0.029895  -0.007572  -0.004066  -0.000764
    37  H    0.000168   0.012076   0.016645  -0.023256   0.001667   0.007303
              13         14         15         16         17         18
     1  C    0.033966   0.000183  -0.000050   0.002049  -0.000314   0.000368
     2  C    0.012671   0.000062   0.000019   0.000358  -0.000392   0.002013
     3  N    0.267028   0.001098   0.000505   0.001703   0.001241  -0.032386
     4  Rh  -1.404722   0.072258   0.032193   0.063416   0.042711   0.063653
     5  N   -0.111589  -0.150793  -0.141036  -0.053142   0.026678  -0.003919
     6  C   -0.001261   0.284741   0.398911   0.012686  -0.005365   0.000056
     7  C   -0.003778  -0.014025   0.016077   0.251532   0.418982   0.000045
     8  N   -0.081669  -0.045436   0.028807  -0.135128  -0.180660   0.000299
     9  N   -0.149661  -0.004908   0.008760  -0.032922  -0.001975   0.001730
    10  N   -0.023765  -0.017193  -0.005852  -0.003887   0.006670  -0.053088
    11  C    0.072600   0.001459  -0.000052   0.000055  -0.000028   0.012289
    12  C   -0.351209   0.000206   0.000032   0.000045   0.000003   0.252707
    13  N   11.502066   0.002866   0.000752   0.000303   0.000531  -0.136590
    14  H    0.002866   0.940572  -0.176258   0.051725  -0.052080   0.000029
    15  H    0.000752  -0.176258   0.977046  -0.047557   0.002930   0.000001
    16  H    0.000303   0.051725  -0.047557   0.973414  -0.194664   0.000003
    17  H    0.000531  -0.052080   0.002930  -0.194664   1.026087  -0.000002
    18  H   -0.136590   0.000029   0.000001   0.000003  -0.000002   0.973340
    19  H   -0.180463  -0.000087  -0.000002  -0.000002  -0.000001  -0.194299
    20  H   -0.045926  -0.002567   0.000637   0.000029  -0.000087   0.051866
    21  H    0.029010   0.000626   0.000047   0.000001  -0.000002  -0.047711
    22  H    0.016432   0.021037  -0.000290   0.000765  -0.000346  -0.001739
    23  H   -0.007157   0.001865  -0.000038   0.000372  -0.000075   0.009050
    24  H   -0.706160  -0.000120   0.000010  -0.000037  -0.000003   0.008029
    25  H   -0.352826   0.000506  -0.000326   0.000065  -0.000038   0.026297
    26  H    0.012289   0.000592   0.000040   0.022511  -0.003167  -0.000090
    27  H   -0.005819   0.000761  -0.001203   0.004758   0.000073   0.000164
    28  H    0.002739  -0.003312  -0.005311   0.008073   0.060564  -0.000037
    29  H    0.002244   0.005151  -0.001235   0.025930  -0.006336   0.000062
    30  H   -0.014611   0.005337   0.070622  -0.001688  -0.005974   0.000771
    31  H   -0.009743   0.033553  -0.031841   0.009031  -0.001033   0.000376
    32  H   -0.040887   0.000002  -0.000011   0.000344   0.000007   0.001174
    33  H    0.004471   0.000006  -0.000006  -0.000166  -0.000009  -0.000022
    34  H    0.001528  -0.000003  -0.000000  -0.000020  -0.000009  -0.000164
    35  H   -0.001157   0.000044  -0.000031   0.001169   0.000293   0.000337
    36  H   -0.018814  -0.000165  -0.000025   0.000166  -0.000005   0.004689
    37  H   -0.023680  -0.000058   0.000008  -0.000090   0.000015   0.022173
              19         20         21         22         23         24
     1  C   -0.000393   0.000064   0.000019   0.000098   0.000268   0.001292
     2  C   -0.000313   0.000183  -0.000049   0.000490   0.002087  -0.006239
     3  N   -0.002011  -0.004898   0.008682   0.012028  -0.047886  -0.087379
     4  Rh   0.042606   0.072463   0.031996   0.226203   0.168251   0.256399
     5  N    0.006740  -0.017412  -0.005808  -0.060415  -0.000138   0.008285
     6  C   -0.000027   0.001492  -0.000050   0.013138  -0.003711  -0.000123
     7  C    0.000002   0.000214   0.000031  -0.001055   0.000641   0.000044
     8  N    0.000529   0.002884   0.000754  -0.014630  -0.009740   0.002718
     9  N    0.001253   0.001108   0.000509   0.001271  -0.000550   0.016806
    10  N    0.026598  -0.150358  -0.139948  -0.649607  -0.232624   0.016103
    11  C   -0.005127   0.283659   0.399629   0.134056   0.076961  -0.011058
    12  C    0.418153  -0.013659   0.015655  -0.016546  -0.023690   0.109025
    13  N   -0.180463  -0.045926   0.029010   0.016432  -0.007157  -0.706160
    14  H   -0.000087  -0.002567   0.000626   0.021037   0.001865  -0.000120
    15  H   -0.000002   0.000637   0.000047  -0.000290  -0.000038   0.000010
    16  H   -0.000002   0.000029   0.000001   0.000765   0.000372  -0.000037
    17  H   -0.000001  -0.000087  -0.000002  -0.000346  -0.000075  -0.000003
    18  H   -0.194299   0.051866  -0.047711  -0.001739   0.009050   0.008029
    19  H    1.025548  -0.052280   0.003066  -0.005963  -0.001022   0.060667
    20  H   -0.052280   0.942220  -0.176862   0.005424   0.033502  -0.003283
    21  H    0.003066  -0.176862   0.977404   0.070203  -0.031747  -0.005313
    22  H   -0.005963   0.005424   0.070203   0.879619  -0.011388  -0.003247
    23  H   -0.001022   0.033502  -0.031747  -0.011388   0.621651   0.000248
    24  H    0.060667  -0.003283  -0.005313  -0.003247   0.000248   0.858066
    25  H   -0.006642   0.005382  -0.001295   0.002316   0.002768   0.035209
    26  H    0.000015  -0.000059   0.000007   0.000156  -0.000055   0.000404
    27  H   -0.000007  -0.000165  -0.000025  -0.000137  -0.000006   0.010454
    28  H   -0.000003  -0.000122   0.000010   0.000892   0.001573   0.000032
    29  H   -0.000038   0.000502  -0.000327   0.012903  -0.002834  -0.000310
    30  H   -0.000352   0.021351  -0.000316   0.031704   0.002598   0.000887
    31  H   -0.000079   0.001891  -0.000041   0.002589  -0.000502   0.001563
    32  H    0.000291   0.000045  -0.000032  -0.000034   0.000026   0.024784
    33  H   -0.000009  -0.000003  -0.000000  -0.000001  -0.000026  -0.003142
    34  H   -0.000008   0.000006  -0.000006  -0.000010  -0.000171   0.000371
    35  H    0.000007   0.000002  -0.000011  -0.000174   0.000479   0.000623
    36  H    0.000075   0.000757  -0.001187  -0.002930   0.013872   0.005944
    37  H   -0.003121   0.000594   0.000043   0.001769   0.010840   0.026632
              25         26         27         28         29         30
     1  C   -0.003574   0.085577   0.162337  -0.006256  -0.003662   0.000480
     2  C   -0.003677  -0.037810  -0.023306   0.001347  -0.003514   0.000102
     3  N   -0.030472   0.016397   0.030129   0.016661  -0.009143   0.001239
     4  Rh   0.189440   0.151129   0.253260   0.257173   0.188709   0.226484
     5  N    0.011818  -0.023023  -0.007206   0.016170  -0.018624  -0.652688
     6  C    0.000641   0.001630  -0.004160  -0.011013  -0.019019   0.134394
     7  C    0.000149   0.007326  -0.000736   0.108654   0.064041  -0.016491
     8  N    0.002248  -0.023797  -0.019057  -0.705685  -0.349688   0.016144
     9  N   -0.008853  -0.436919  -0.758721  -0.087820  -0.030508   0.012444
    10  N   -0.018658  -0.001537   0.001568   0.008247   0.012234  -0.060651
    11  C   -0.018889  -0.000291  -0.000276  -0.000122   0.000620   0.013221
    12  C    0.064252   0.000159   0.002246   0.000046   0.000137  -0.001085
    13  N   -0.352826   0.012289  -0.005819   0.002739   0.002244  -0.014611
    14  H    0.000506   0.000592   0.000761  -0.003312   0.005151   0.005337
    15  H   -0.000326   0.000040  -0.001203  -0.005311  -0.001235   0.070622
    16  H    0.000065   0.022511   0.004758   0.008073   0.025930  -0.001688
    17  H   -0.000038  -0.003167   0.000073   0.060564  -0.006336  -0.005974
    18  H    0.026297  -0.000090   0.000164  -0.000037   0.000062   0.000771
    19  H   -0.006642   0.000015  -0.000007  -0.000003  -0.000038  -0.000352
    20  H    0.005382  -0.000059  -0.000165  -0.000122   0.000502   0.021351
    21  H   -0.001295   0.000007  -0.000025   0.000010  -0.000327  -0.000316
    22  H    0.002316   0.000156  -0.000137   0.000892   0.012903   0.031704
    23  H    0.002768  -0.000055  -0.000006   0.001573  -0.002834   0.002598
    24  H    0.035209   0.000404   0.010454   0.000032  -0.000310   0.000887
    25  H    0.615180  -0.001020   0.007978  -0.000311  -0.000204   0.012976
    26  H   -0.001020   0.642899   0.027038   0.026743   0.003433   0.001734
    27  H    0.007978   0.027038   0.836143   0.006003   0.000832  -0.003036
    28  H   -0.000311   0.026743   0.006003   0.859568   0.034437  -0.003235
    29  H   -0.000204   0.003433   0.000832   0.034437   0.614946   0.002357
    30  H    0.012976   0.001734  -0.003036  -0.003235   0.002357   0.880154
    31  H   -0.002749   0.010723   0.013874   0.000229   0.002773  -0.010944
    32  H    0.006787   0.047439  -0.002658   0.000619   0.000080  -0.000177
    33  H   -0.000239  -0.019012   0.073465   0.000368  -0.000032  -0.000011
    34  H   -0.000033   0.000292  -0.006125  -0.003091  -0.000235  -0.000001
    35  H    0.000080   0.010268  -0.002003   0.024528   0.006732  -0.000034
    36  H    0.000825  -0.001814  -0.003116   0.010492   0.007983  -0.000134
    37  H    0.003447  -0.003226  -0.001882   0.000404  -0.000982   0.000160
              31         32         33         34         35         36
     1  C    0.002087   0.244060   0.431843  -0.010065   0.007724  -0.023346
     2  C    0.000267   0.008478  -0.010639   0.430746   0.245523   0.162435
     3  N   -0.000554  -0.064535   0.035365  -0.189350  -0.162363  -0.756571
     4  Rh   0.168839   0.085138   0.036653   0.036860   0.084559   0.252746
     5  N   -0.235640   0.002173   0.000587   0.000515   0.000385   0.001548
     6  C    0.077307  -0.000081  -0.000043  -0.000031   0.000256  -0.000276
     7  C   -0.023694   0.000545  -0.000300  -0.000009   0.002140   0.002269
     8  N   -0.007275  -0.001161   0.001506   0.004400  -0.040719  -0.006065
     9  N   -0.047405  -0.163300  -0.188594   0.034915  -0.063870   0.029895
    10  N   -0.000125   0.000392   0.000519   0.000583   0.002143  -0.007572
    11  C   -0.003733   0.000259  -0.000032  -0.000041  -0.000081  -0.004066
    12  C    0.000610   0.002159  -0.000013  -0.000296   0.000543  -0.000764
    13  N   -0.009743  -0.040887   0.004471   0.001528  -0.001157  -0.018814
    14  H    0.033553   0.000002   0.000006  -0.000003   0.000044  -0.000165
    15  H   -0.031841  -0.000011  -0.000006  -0.000000  -0.000031  -0.000025
    16  H    0.009031   0.000344  -0.000166  -0.000020   0.001169   0.000166
    17  H   -0.001033   0.000007  -0.000009  -0.000009   0.000293  -0.000005
    18  H    0.000376   0.001174  -0.000022  -0.000164   0.000337   0.004689
    19  H   -0.000079   0.000291  -0.000009  -0.000008   0.000007   0.000075
    20  H    0.001891   0.000045  -0.000003   0.000006   0.000002   0.000757
    21  H   -0.000041  -0.000032  -0.000000  -0.000006  -0.000011  -0.001187
    22  H    0.002589  -0.000034  -0.000001  -0.000010  -0.000174  -0.002930
    23  H   -0.000502   0.000026  -0.000026  -0.000171   0.000479   0.013872
    24  H    0.001563   0.024784  -0.003142   0.000371   0.000623   0.005944
    25  H   -0.002749   0.006787  -0.000239  -0.000033   0.000080   0.000825
    26  H    0.010723   0.047439  -0.019012   0.000292   0.010268  -0.001814
    27  H    0.013874  -0.002658   0.073465  -0.006125  -0.002003  -0.003116
    28  H    0.000229   0.000619   0.000368  -0.003091   0.024528   0.010492
    29  H    0.002773   0.000080  -0.000032  -0.000235   0.006732   0.007983
    30  H   -0.010944  -0.000177  -0.000011  -0.000001  -0.000034  -0.000134
    31  H    0.621836   0.000481  -0.000174  -0.000026   0.000026  -0.000005
    32  H    0.000481   1.028098  -0.200838  -0.039736   0.052847  -0.001937
    33  H   -0.000174  -0.200838   1.018753  -0.010654  -0.040010  -0.006148
    34  H   -0.000026  -0.039736  -0.010654   1.017532  -0.199638   0.073742
    35  H    0.000026   0.052847  -0.040010  -0.199638   1.025108  -0.003121
    36  H   -0.000005  -0.001937  -0.006148   0.073742  -0.003121   0.834725
    37  H   -0.000053   0.010390   0.000177  -0.018883   0.047142   0.026842
              37
     1  C   -0.037727
     2  C    0.085839
     3  N   -0.435095
     4  Rh   0.150922
     5  N   -0.001555
     6  C   -0.000286
     7  C    0.000168
     8  N    0.012076
     9  N    0.016645
    10  N   -0.023256
    11  C    0.001667
    12  C    0.007303
    13  N   -0.023680
    14  H   -0.000058
    15  H    0.000008
    16  H   -0.000090
    17  H    0.000015
    18  H    0.022173
    19  H   -0.003121
    20  H    0.000594
    21  H    0.000043
    22  H    0.001769
    23  H    0.010840
    24  H    0.026632
    25  H    0.003447
    26  H   -0.003226
    27  H   -0.001882
    28  H    0.000404
    29  H   -0.000982
    30  H    0.000160
    31  H   -0.000053
    32  H    0.010390
    33  H    0.000177
    34  H   -0.018883
    35  H    0.047142
    36  H    0.026842
    37  H    0.641728
 Mulliken charges:
               1
     1  C    0.677094
     2  C    0.677290
     3  N   -1.306843
     4  Rh   2.193942
     5  N   -1.143154
     6  C    0.619816
     7  C    0.649112
     8  N   -1.287086
     9  N   -1.305950
    10  N   -1.139963
    11  C    0.619504
    12  C    0.649719
    13  N   -1.290011
    14  H    0.042327
    15  H   -0.126274
    16  H    0.038800
    17  H   -0.134220
    18  H    0.038526
    19  H   -0.133305
    20  H    0.041408
    21  H   -0.126961
    22  H    0.335420
    23  H    0.426309
    24  H    0.381817
    25  H    0.461441
    26  H    0.483017
    27  H    0.408559
    28  H    0.380743
    29  H    0.460587
    30  H    0.336268
    31  H    0.427558
    32  H   -0.001231
    33  H   -0.123593
    34  H   -0.122885
    35  H    0.000252
    36  H    0.409058
    37  H    0.482912
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.552269
     2  C    0.554657
     3  N   -0.414873
     4  Rh   2.193942
     5  N   -0.379328
     6  C    0.535869
     7  C    0.553692
     8  N   -0.445757
     9  N   -0.414374
    10  N   -0.378234
    11  C    0.533951
    12  C    0.554940
    13  N   -0.446753
 Electronic spatial extent (au):  <R**2>=           2779.9542
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0221    Y=             -0.0001    Z=              0.0003  Tot=              0.0221
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.3697   YY=            -30.8158   ZZ=            -52.8955
   XY=             -0.0012   XZ=             -0.0048   YZ=             -0.1448
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.6573   YY=              7.2112   ZZ=            -14.8685
   XY=             -0.0012   XZ=             -0.0048   YZ=             -0.1448
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.7965  YYY=              0.2050  ZZZ=              0.0442  XYY=             36.4726
  XXY=             -0.2033  XXZ=              0.0091  XZZ=             -0.4513  YZZ=             -0.0081
  YYZ=              0.0210  XYZ=             -0.7565
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1004.3594 YYYY=           -970.4772 ZZZZ=           -348.7636 XXXY=              0.0516
 XXXZ=              0.1754 YYYX=             -0.0424 YYYZ=             37.6265 ZZZX=             -0.0107
 ZZZY=             -4.6218 XXYY=           -331.4248 XXZZ=           -228.3867 YYZZ=           -229.8109
 XXYZ=            -35.8153 YYXZ=             -0.2310 ZZXY=             -0.0064
 N-N= 1.198282294253D+03 E-N=-3.900975193016D+03  KE= 6.040967067609D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 18:00:16 2021, MaxMem= 16106127360 cpu:               6.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0011    0.0011       -0.0002   -0.0001
 2     -0.0011   -0.0011       -0.0235   -0.0265       -0.6980   -0.6985
 3      0.0002    0.0001       15.9791   15.9748        0.0264    0.0265
 4      0.0235    0.0265       -0.0000    0.0000        0.0001    0.0001
 5    -15.2811  -15.2763       -0.0001   -0.0001        0.0011    0.0011
 6     -0.0264   -0.0265       -0.0011   -0.0011        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0033   -0.0033       -0.0002   -0.0002
 2      0.0795    0.0795        0.0000    0.0000       -0.0002   -0.0002
 3      0.0795    0.0795       -0.0033   -0.0033        0.0000    0.0000
 4     -0.0033   -0.0033       -0.0795   -0.0795       -2.0954   -2.0954
 5      0.0002    0.0002       47.9243   47.9243        0.0795    0.0795
 6    -45.8289  -45.8289       -0.0002   -0.0002        0.0033    0.0033
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4377    0.0000       -0.0261   -0.0043       -0.0259    0.0003
 2      0.0590    0.0043        0.1632    0.1060        2.9909    2.7939
 3     -0.0140   -0.0003      -63.7699  -63.8991       -0.4820   -0.1060
 4      0.1878   -0.1060       -0.0625    0.0000       -0.0655   -0.0003
 5     61.0182   61.1052        0.0436    0.0003        0.0761   -0.0043
 6      0.3891    0.1060       -0.0038    0.0043       -0.0194    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.4071    0.0000       -0.1093   -0.0189        0.0454    0.0645
 2      0.0551    0.0189       -4.2162   -3.3924       -8.0209   -7.6422
 3     -0.1371   -0.0645       -9.7337  -10.9335        3.4459    3.3924
 4      4.4197    3.3924        0.1217    0.0000        0.1367   -0.0645
 5     16.7767   18.5757        0.1865    0.0645        0.1367   -0.0189
 6     -3.4418   -3.3924       -0.0162    0.0189       -0.1854    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     95.8281   96.5371        0.4699    0.4668       -0.0191    0.0057
 2    101.4654  101.8716        0.5538    0.4656        0.2131    0.0057
 3    101.3801  101.8716        0.5584    0.4668        0.1471    0.0033
 4      0.0292    0.0012       -6.2282   -5.3344        3.0131    3.2128
 5     -0.0577   -0.0025      -33.1549  -33.5938        5.7768    5.3344
 6     29.3517   30.3810        0.0643    0.0025        0.1067   -0.0012
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      1.0015                 1.0261                 0.0529
  Dep-P Fr= 1--      0.7487                 0.7499                 0.7487
  Dep-U Fr= 1--      0.8563                 0.8571                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1429                 0.1466                 0.0075
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0366                -0.3341                 0.0310
 Delta2 Fr= 1--     -0.0728                -0.0540                -0.0046
 Raman1 Fr= 1--       4.006                  4.105                  0.212
 ROA1   Fr= 1--      -5.841                -33.805                  2.825
 CID1   Fr= 1--      -1.458                 -8.236                 13.356
 Raman2 Fr= 1--       1.715                  1.759                  0.091
 ROA2   Fr= 1--      -0.296                 -7.587                  0.780
 CID2   Fr= 1--      -0.172                 -4.313                  8.617
 Raman3 Fr= 1--       3.431                  3.518                  0.181
 ROA3   Fr= 1--      -5.841                -33.805                  2.825
 CID3   Fr= 1--      -1.703                 -9.609                 15.598
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.1903                 0.3324                 1.6796
  Dep-P Fr= 1--      0.7500                 0.6816                 0.7411
  Dep-U Fr= 1--      0.8571                 0.8106                 0.8513
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0272                 0.0449                 0.2383
 AlphaG Fr= 1--     -0.0000                -0.0003                -0.0060
 Gamma2 Fr= 1--      0.9935                 1.2600                -2.4585
 Delta2 Fr= 1--      0.2000                 0.2607                -0.7046
 Raman1 Fr= 1--       0.761                  1.330                  6.718
 ROA1   Fr= 1--     101.774                129.303               -258.566
 CID1   Fr= 1--     133.674                 97.256                -38.487
 Raman2 Fr= 1--       0.326                  0.539                  2.860
 ROA2   Fr= 1--      22.243                 28.155                -53.368
 CID2   Fr= 1--      68.168                 52.249                -18.663
 Raman3 Fr= 1--       0.653                  1.078                  5.719
 ROA3   Fr= 1--     101.774                129.303               -258.566
 CID3   Fr= 1--     155.955                119.976                -45.210
 RC180  Fr= 1--       0.714                  0.621                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      2.9144                 2.5382                 0.0348
  Dep-P Fr= 1--      0.7439                 0.7500                 0.7472
  Dep-U Fr= 1--      0.8531                 0.8571                 0.8553
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4144                 0.3626                 0.0050
 AlphaG Fr= 1--     -0.0019                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.1524                -1.0588                -0.0684
 Delta2 Fr= 1--     -0.0661                 0.0412                -0.0161
 Raman1 Fr= 1--      11.657                 10.153                  0.139
 ROA1   Fr= 1--    -112.748               -100.326                 -7.081
 CID1   Fr= 1--      -9.672                 -9.881                -50.876
 Raman2 Fr= 1--       4.973                  4.351                  0.060
 ROA2   Fr= 1--     -27.130                -25.741                 -1.513
 CID2   Fr= 1--      -5.456                 -5.916                -25.421
 Raman3 Fr= 1--       9.946                  8.702                  0.119
 ROA3   Fr= 1--    -112.748               -100.326                 -7.081
 CID3   Fr= 1--     -11.337                -11.528                -59.485
 RC180  Fr= 1--       0.706                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     16.1787                 1.5789                 0.4995
  Dep-P Fr= 1--      0.0873                 0.5808                 0.6826
  Dep-U Fr= 1--      0.1606                 0.7348                 0.8114
 Alpha2 Fr= 1--      0.2922                 0.0050                 0.0006
 Beta2  Fr= 1--      0.4329                 0.1934                 0.0676
 AlphaG Fr= 1--      0.1611                -0.0182                 0.0017
 Gamma2 Fr= 1--      5.4175                -0.4251                -0.4075
 Delta2 Fr= 1--      0.3116                -0.1667                 0.0377
 Raman1 Fr= 1--      64.715                  6.315                  1.998
 ROA1   Fr= 1--     530.048                -46.148                -37.917
 CID1   Fr= 1--       8.191                 -7.307                -18.976
 Raman2 Fr= 1--       5.195                  2.320                  0.811
 ROA2   Fr= 1--     127.526                 -8.869                -10.082
 CID2   Fr= 1--      24.547                 -3.822                -12.438
 Raman3 Fr= 1--      10.390                  4.641                  1.621
 ROA3   Fr= 1--     530.048                -46.148                -37.917
 CID3   Fr= 1--      51.014                 -9.944                -23.388
 RC180  Fr= 1--      -0.679                  0.470                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      1.6509                 2.7125                 2.2092
  Dep-P Fr= 1--      0.0899                 0.7500                 0.7498
  Dep-U Fr= 1--      0.1649                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0296                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0454                 0.3875                 0.3156
 AlphaG Fr= 1--      0.0853                -0.0000                 0.0002
 Gamma2 Fr= 1--      0.0721                -0.9404                -2.5055
 Delta2 Fr= 1--     -0.1073                -0.2092                -0.0443
 Raman1 Fr= 1--       6.604                 10.850                  8.837
 ROA1   Fr= 1--       3.488                -96.976               -241.945
 CID1   Fr= 1--       0.528                 -8.938                -27.379
 Raman2 Fr= 1--       0.545                  4.650                  3.787
 ROA2   Fr= 1--       2.588                -20.897                -59.777
 CID2   Fr= 1--       4.753                 -4.494                -15.786
 Raman3 Fr= 1--       1.089                  9.300                  7.573
 ROA3   Fr= 1--       3.488                -96.976               -241.945
 CID3   Fr= 1--       3.203                -10.428                -31.947
 RC180  Fr= 1--      -0.670                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.7408                 3.3408                 4.1733
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7489
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8564
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1058                 0.4773                 0.5957
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0025
 Gamma2 Fr= 1--     -0.2754                 0.6151                -1.8496
 Delta2 Fr= 1--     -0.0929                 0.0247                -0.0579
 Raman1 Fr= 1--       2.963                 13.363                 16.693
 ROA1   Fr= 1--     -29.411                 59.839               -179.418
 CID1   Fr= 1--      -9.926                  4.478                -10.748
 Raman2 Fr= 1--       1.270                  5.727                  7.148
 ROA2   Fr= 1--      -5.866                 14.565                -43.928
 CID2   Fr= 1--      -4.620                  2.543                 -6.145
 Raman3 Fr= 1--       2.540                 11.454                 14.296
 ROA3   Fr= 1--     -29.411                 59.839               -179.418
 CID3   Fr= 1--     -11.580                  5.224                -12.550
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      4.0676                 4.0801                43.3752
  Dep-P Fr= 1--      0.7500                 0.7499                 0.0015
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0031
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.9604
 Beta2  Fr= 1--      0.5811                 0.5828                 0.0223
 AlphaG Fr= 1--      0.0003                -0.0000                 0.2978
 Gamma2 Fr= 1--      0.5141                 0.6233                -0.3944
 Delta2 Fr= 1--      0.1411                 0.0256                 0.0403
 Raman1 Fr= 1--      16.271                 16.320                173.501
 ROA1   Fr= 1--      53.873                 60.652                -36.576
 CID1   Fr= 1--       3.311                  3.716                 -0.211
 Raman2 Fr= 1--       6.973                  6.994                  0.268
 ROA2   Fr= 1--      11.210                 14.754                 -9.789
 CID2   Fr= 1--       1.608                  2.109                -36.579
 Raman3 Fr= 1--      13.946                 13.988                  0.535
 ROA3   Fr= 1--      53.873                 60.652                -36.576
 CID3   Fr= 1--       3.863                  4.336                -68.335
 RC180  Fr= 1--       0.714                  0.714                 -0.994
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.5577                 0.1353                 0.0869
  Dep-P Fr= 1--      0.2414                 0.7478                 0.7500
  Dep-U Fr= 1--      0.3889                 0.8557                 0.8571
 Alpha2 Fr= 1--      0.0068                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0361                 0.0193                 0.0124
 AlphaG Fr= 1--     -0.0129                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.6424                -0.4017                 0.1605
 Delta2 Fr= 1--      0.3881                -0.1081                 0.0955
 Raman1 Fr= 1--       2.231                  0.541                  0.348
 ROA1   Fr= 1--      74.095                -42.022                 18.466
 CID1   Fr= 1--      33.215                -77.659                 53.130
 Raman2 Fr= 1--       0.434                  0.232                  0.149
 ROA2   Fr= 1--      12.314                 -8.776                  3.088
 CID2   Fr= 1--      28.390                -37.908                 20.733
 Raman3 Fr= 1--       0.867                  0.463                  0.298
 ROA3   Fr= 1--      74.095                -42.022                 18.466
 CID3   Fr= 1--      85.416                -90.753                 61.986
 RC180  Fr= 1--      -0.222                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.5983                 1.7761                 1.0066
  Dep-P Fr= 1--      0.7500                 0.0484                 0.5301
  Dep-U Fr= 1--      0.8571                 0.0923                 0.6929
 Alpha2 Fr= 1--      0.0000                 0.0352                 0.0043
 Beta2  Fr= 1--      0.0855                 0.0273                 0.1162
 AlphaG Fr= 1--      0.0000                -0.0007                -0.1291
 Gamma2 Fr= 1--      3.1455                 2.4389                -4.0460
 Delta2 Fr= 1--     -0.0736                -0.0983                 0.2446
 Raman1 Fr= 1--       2.393                  7.104                  4.026
 ROA1   Fr= 1--     299.616                230.984               -380.594
 CID1   Fr= 1--     125.191                 32.513                -94.523
 Raman2 Fr= 1--       1.026                  0.328                  1.395
 ROA2   Fr= 1--      76.082                 59.319                -99.062
 CID2   Fr= 1--      74.178                180.948                -71.015
 Raman3 Fr= 1--       2.051                  0.656                  2.790
 ROA3   Fr= 1--     299.616                230.984               -380.594
 CID3   Fr= 1--     146.057                352.301               -136.419
 RC180  Fr= 1--       0.714                 -0.815                  0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0405                 0.9973                 0.7115
  Dep-P Fr= 1--      0.7452                 0.7500                 0.7495
  Dep-U Fr= 1--      0.8540                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0058                 0.1425                 0.1016
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0003
 Gamma2 Fr= 1--     -0.1994                 2.0061                -1.6902
 Delta2 Fr= 1--     -0.0253                 0.1395                -0.0402
 Raman1 Fr= 1--       0.162                  3.989                  2.846
 ROA1   Fr= 1--     -19.951                197.053               -163.542
 CID1   Fr= 1--    -123.011                 49.398                -57.463
 Raman2 Fr= 1--       0.069                  1.710                  1.219
 ROA2   Fr= 1--      -4.583                 47.030                -40.243
 CID2   Fr= 1--     -66.172                 27.509                -33.005
 Raman3 Fr= 1--       0.139                  3.419                  2.439
 ROA3   Fr= 1--     -19.951                197.053               -163.542
 CID3   Fr= 1--    -144.038                 57.631                -67.065
 RC180  Fr= 1--       0.708                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.4257                 1.4591                 4.7204
  Dep-P Fr= 1--      0.7500                 0.7485                 0.1964
  Dep-U Fr= 1--      0.8571                 0.8562                 0.3284
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0647
 Beta2  Fr= 1--      0.0608                 0.2082                 0.2583
 AlphaG Fr= 1--     -0.0000                 0.0006                -0.0313
 Gamma2 Fr= 1--      0.8898                 0.4795                 1.2594
 Delta2 Fr= 1--      0.9430                 0.3940                -0.2000
 Raman1 Fr= 1--       1.703                  5.837                 18.882
 ROA1   Fr= 1--     115.598                 58.636                114.504
 CID1   Fr= 1--      67.885                 10.046                  6.064
 Raman2 Fr= 1--       0.730                  2.499                  3.100
 ROA2   Fr= 1--      13.812                  8.355                 31.826
 CID2   Fr= 1--      18.926                  3.344                 10.266
 Raman3 Fr= 1--       1.460                  4.997                  6.200
 ROA3   Fr= 1--     115.598                 58.636                114.504
 CID3   Fr= 1--      79.202                 11.734                 18.468
 RC180  Fr= 1--       0.714                  0.712                 -0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      6.5194                 2.8995                 0.2607
  Dep-P Fr= 1--      0.0763                 0.7467                 0.7498
  Dep-U Fr= 1--      0.1418                 0.8550                 0.8570
 Alpha2 Fr= 1--      0.1209                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1541                 0.4132                 0.0372
 AlphaG Fr= 1--     -0.0366                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.5781                -1.4211                 0.2168
 Delta2 Fr= 1--     -1.4491                -0.6762                -0.0267
 Raman1 Fr= 1--      26.077                 11.598                  1.043
 ROA1   Fr= 1--    -101.869               -158.068                 19.962
 CID1   Fr= 1--      -3.906                -13.629                 19.142
 Raman2 Fr= 1--       1.849                  4.958                  0.447
 ROA2   Fr= 1--      -2.282                -28.698                  5.418
 CID2   Fr= 1--      -1.234                 -5.788                 12.123
 Raman3 Fr= 1--       3.698                  9.916                  0.894
 ROA3   Fr= 1--    -101.869               -158.068                 19.962
 CID3   Fr= 1--     -27.544                -15.941                 22.335
 RC180  Fr= 1--      -0.716                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.6690                 3.3593                 3.5012
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7497
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0956                 0.4799                 0.5001
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0003
 Gamma2 Fr= 1--      0.0444                 0.9717                 0.0452
 Delta2 Fr= 1--     -0.3175                 0.6035                -1.3758
 Raman1 Fr= 1--       2.676                 13.437                 14.005
 ROA1   Fr= 1--      -5.894                112.589                -39.685
 CID1   Fr= 1--      -2.202                  8.379                 -2.834
 Raman2 Fr= 1--       1.147                  5.759                  6.001
 ROA2   Fr= 1--       3.606                 18.492                 12.092
 CID2   Fr= 1--       3.145                  3.211                  2.015
 Raman3 Fr= 1--       2.294                 11.517                 12.002
 ROA3   Fr= 1--      -5.894                112.589                -39.685
 CID3   Fr= 1--      -2.570                  9.776                 -3.307
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.0366                 0.0922                 0.3292
  Dep-P Fr= 1--      0.0885                 0.7500                 0.5546
  Dep-U Fr= 1--      0.1626                 0.8571                 0.7135
 Alpha2 Fr= 1--      0.0187                 0.0000                 0.0012
 Beta2  Fr= 1--      0.0281                 0.0132                 0.0391
 AlphaG Fr= 1--     -0.0162                 0.0000                 0.0527
 Gamma2 Fr= 1--      1.2558                 0.8892                -1.1757
 Delta2 Fr= 1--      0.0617                -0.0984                 0.0127
 Raman1 Fr= 1--       4.146                  0.369                  1.317
 ROA1   Fr= 1--     122.532                 82.211               -112.460
 CID1   Fr= 1--      29.551                222.887                -85.403
 Raman2 Fr= 1--       0.337                  0.158                  0.470
 ROA2   Fr= 1--      29.646                 22.127                -28.317
 CID2   Fr= 1--      87.947                139.977                -60.281
 Raman3 Fr= 1--       0.674                  0.316                  0.940
 ROA3   Fr= 1--     122.532                 82.211               -112.460
 CID3   Fr= 1--     181.752                260.035               -119.700
 RC180  Fr= 1--      -0.675                  0.714                  0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.6030                 1.4851                 0.7439
  Dep-P Fr= 1--      0.7460                 0.6328                 0.2155
  Dep-U Fr= 1--      0.8545                 0.7751                 0.3545
 Alpha2 Fr= 1--      0.0000                 0.0032                 0.0097
 Beta2  Fr= 1--      0.0859                 0.1918                 0.0440
 AlphaG Fr= 1--      0.0004                 0.0317                -0.0013
 Gamma2 Fr= 1--     -1.0153                -0.4325                 0.7309
 Delta2 Fr= 1--     -1.6100                -0.2778                 0.4261
 Raman1 Fr= 1--       2.412                  5.940                  2.975
 ROA1   Fr= 1--    -148.991                -50.412                 83.803
 CID1   Fr= 1--     -61.770                 -8.487                 28.165
 Raman2 Fr= 1--       1.031                  2.302                  0.527
 ROA2   Fr= 1--     -11.488                 -8.158                 14.132
 CID2   Fr= 1--     -11.147                 -3.543                 26.795
 Raman3 Fr= 1--       2.061                  4.604                  1.055
 ROA3   Fr= 1--    -148.991                -50.412                 83.803
 CID3   Fr= 1--     -72.285                -10.949                 79.444
 RC180  Fr= 1--       0.709                  0.550                 -0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.7600                 0.7645                 0.3911
  Dep-P Fr= 1--      0.7476                 0.7495                 0.7498
  Dep-U Fr= 1--      0.8556                 0.8568                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1084                 0.1092                 0.0559
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.5933                -0.3944                 0.0442
 Delta2 Fr= 1--      0.1341                -0.0701                -0.0958
 Raman1 Fr= 1--       3.040                  3.058                  1.564
 ROA1   Fr= 1--      61.249                -40.108                  1.175
 CID1   Fr= 1--      20.147                -13.116                  0.751
 Raman2 Fr= 1--       1.301                  1.310                  0.670
 ROA2   Fr= 1--      13.166                 -8.906                  1.826
 CID2   Fr= 1--      10.124                 -6.798                  2.724
 Raman3 Fr= 1--       2.601                  2.620                  1.341
 ROA3   Fr= 1--      61.249                -40.108                  1.175
 CID3   Fr= 1--      23.548                -15.308                  0.876
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      8.2511                 8.7023                 9.6773
  Dep-P Fr= 1--      0.7499                 0.7380                 0.3206
  Dep-U Fr= 1--      0.8571                 0.8493                 0.4855
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0932
 Beta2  Fr= 1--      1.1786                 1.2318                 0.7831
 AlphaG Fr= 1--      0.0001                 0.0296                 0.1505
 Gamma2 Fr= 1--     -3.8296                 0.0134                -0.4869
 Delta2 Fr= 1--      2.5470                 4.6446                -5.5663
 Raman1 Fr= 1--      33.004                 34.809                 38.709
 ROA1   Fr= 1--    -286.138                149.910               -224.868
 CID1   Fr= 1--      -8.670                  4.307                 -5.809
 Raman2 Fr= 1--      14.144                 14.781                  9.397
 ROA2   Fr= 1--    -112.287                -36.836                 32.844
 CID2   Fr= 1--      -7.939                 -2.492                  3.495
 Raman3 Fr= 1--      28.287                 29.562                 18.794
 ROA3   Fr= 1--    -286.138                149.910               -224.868
 CID3   Fr= 1--     -10.115                  5.071                -11.965
 RC180  Fr= 1--       0.714                  0.699                 -0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      6.4476                 6.1769                 0.9349
  Dep-P Fr= 1--      0.7467                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8550                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9187                 0.8824                 0.1336
 AlphaG Fr= 1--     -0.0007                 0.0000                -0.0000
 Gamma2 Fr= 1--      3.9147                -0.7392                -0.2852
 Delta2 Fr= 1--      0.6449                 0.0582                -0.1694
 Raman1 Fr= 1--      25.790                 24.708                  3.740
 ROA1   Fr= 1--     396.444                -69.096                -32.795
 CID1   Fr= 1--      15.372                 -2.797                 -8.770
 Raman2 Fr= 1--      11.025                 10.589                  1.603
 ROA2   Fr= 1--      88.793                -18.205                 -5.489
 CID2   Fr= 1--       8.054                 -1.719                 -3.425
 Raman3 Fr= 1--      22.050                 21.178                  3.205
 ROA3   Fr= 1--     396.444                -69.096                -32.795
 CID3   Fr= 1--      17.980                 -3.263                -10.232
 RC180  Fr= 1--       0.710                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.2648                 5.8013                 3.9951
  Dep-P Fr= 1--      0.7431                 0.0981                 0.4729
  Dep-U Fr= 1--      0.8526                 0.1786                 0.6422
 Alpha2 Fr= 1--      0.0000                 0.1021                 0.0223
 Beta2  Fr= 1--      0.0376                 0.1727                 0.4276
 AlphaG Fr= 1--      0.0000                 0.0216                -0.0282
 Gamma2 Fr= 1--      0.0200                -0.5863                -0.9782
 Delta2 Fr= 1--     -0.1033                -0.7709                 0.4197
 Raman1 Fr= 1--       1.059                 23.205                 15.980
 ROA1   Fr= 1--      -1.382                -80.954                -80.472
 CID1   Fr= 1--      -1.305                 -3.489                 -5.036
 Raman2 Fr= 1--       0.452                  2.072                  5.131
 ROA2   Fr= 1--       1.307                 -7.904                -26.834
 CID2   Fr= 1--       2.895                 -3.814                 -5.230
 Raman3 Fr= 1--       0.903                  4.145                 10.262
 ROA3   Fr= 1--      -1.382                -80.954                -80.472
 CID3   Fr= 1--      -1.530                -19.533                 -7.842
 RC180  Fr= 1--       0.705                 -0.643                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.8518                 3.5644                 2.7655
  Dep-P Fr= 1--      0.7499                 0.7279                 0.2063
  Dep-U Fr= 1--      0.8571                 0.8426                 0.3420
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0369
 Beta2  Fr= 1--      0.1217                 0.5005                 0.1576
 AlphaG Fr= 1--      0.0000                 0.0134                -0.0234
 Gamma2 Fr= 1--      3.8291                -0.0727                -0.6803
 Delta2 Fr= 1--      1.9616                -1.0770                -0.1352
 Raman1 Fr= 1--       3.407                 14.257                 11.062
 ROA1   Fr= 1--     430.362                -41.440                -69.636
 CID1   Fr= 1--     126.314                 -2.907                 -6.295
 Raman2 Fr= 1--       1.460                  6.006                  1.892
 ROA2   Fr= 1--      76.205                  6.872                -15.246
 CID2   Fr= 1--      52.194                  1.144                 -8.059
 Raman3 Fr= 1--       2.920                 12.013                  3.783
 ROA3   Fr= 1--     430.362                -41.440                -69.636
 CID3   Fr= 1--     147.380                 -3.450                -18.405
 RC180  Fr= 1--       0.714                  0.685                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      7.9399                13.2961                 5.0814
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.1343                 1.8987                 0.7259
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--      7.7028               -10.5159                -2.1139
 Delta2 Fr= 1--      1.3947                -1.0155                 0.3602
 Raman1 Fr= 1--      31.760                 53.184                 20.326
 ROA1   Fr= 1--     784.095              -1042.025               -191.406
 CID1   Fr= 1--      24.688                -19.593                 -9.417
 Raman2 Fr= 1--      13.611                 22.784                  8.711
 ROA2   Fr= 1--     173.709               -244.258                -53.614
 CID2   Fr= 1--      12.762                -10.720                 -6.155
 Raman3 Fr= 1--      27.222                 45.569                 17.422
 ROA3   Fr= 1--     784.095              -1042.025               -191.406
 CID3   Fr= 1--      28.803                -22.867                -10.987
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.3164                 2.3245                 0.7402
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1881                 0.3320                 0.1057
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     -1.7693                 3.0413                 0.8608
 Delta2 Fr= 1--     -0.7158                 1.5238                 0.4635
 Raman1 Fr= 1--       5.266                  9.298                  2.961
 ROA1   Fr= 1--    -192.753                340.724                 97.466
 CID1   Fr= 1--     -36.606                 36.645                 32.920
 Raman2 Fr= 1--       2.257                  3.984                  1.269
 ROA2   Fr= 1--     -36.736                 60.800                 16.951
 CID2   Fr= 1--     -16.279                 15.259                 13.359
 Raman3 Fr= 1--       4.513                  7.969                  2.538
 ROA3   Fr= 1--    -192.753                340.724                 97.466
 CID3   Fr= 1--     -42.708                 42.756                 38.406
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3441                 0.6490                 0.5599
  Dep-P Fr= 1--      0.7499                 0.7490                 0.7076
  Dep-U Fr= 1--      0.8571                 0.8565                 0.8288
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0491                 0.0927                 0.0773
 AlphaG Fr= 1--      0.0000                -0.0022                 0.0126
 Gamma2 Fr= 1--     -1.5378                 0.7731                -0.5279
 Delta2 Fr= 1--     -1.0412                 0.6018                -0.5036
 Raman1 Fr= 1--       1.376                  2.596                  2.240
 ROA1   Fr= 1--    -180.943                 93.476                -66.797
 CID1   Fr= 1--    -131.475                 36.005                -29.823
 Raman2 Fr= 1--       0.590                  1.112                  0.928
 ROA2   Fr= 1--     -28.577                 13.740                 -8.641
 CID2   Fr= 1--     -48.454                 12.358                 -9.311
 Raman3 Fr= 1--       1.180                  2.224                  1.856
 ROA3   Fr= 1--    -180.943                 93.476                -66.797
 CID3   Fr= 1--    -153.402                 42.037                -35.985
 RC180  Fr= 1--       0.714                  0.713                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      5.4743                 6.7073                 3.1555
  Dep-P Fr= 1--      0.4330                 0.6010                 0.7483
  Dep-U Fr= 1--      0.6044                 0.7507                 0.8561
 Alpha2 Fr= 1--      0.0359                 0.0185                 0.0001
 Beta2  Fr= 1--      0.5514                 0.8392                 0.4502
 AlphaG Fr= 1--      0.0492                 0.0235                 0.0007
 Gamma2 Fr= 1--     -2.0352                -1.9556                -1.3999
 Delta2 Fr= 1--     -0.9025                -0.5418                -0.9780
 Raman1 Fr= 1--      21.897                 26.829                 12.622
 ROA1   Fr= 1--    -224.260               -205.075               -165.682
 CID1   Fr= 1--     -10.241                 -7.644                -13.126
 Raman2 Fr= 1--       6.617                 10.071                  5.403
 ROA2   Fr= 1--     -41.625                -42.600                -25.773
 CID2   Fr= 1--      -6.291                 -4.230                 -4.770
 Raman3 Fr= 1--      13.234                 20.142                 10.805
 ROA3   Fr= 1--    -224.260               -205.075               -165.682
 CID3   Fr= 1--     -16.946                -10.181                -15.333
 RC180  Fr= 1--       0.209                  0.501                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     12.4920                 9.5504                 1.3338
  Dep-P Fr= 1--      0.7017                 0.3225                 0.7468
  Dep-U Fr= 1--      0.8247                 0.4877                 0.8550
 Alpha2 Fr= 1--      0.0105                 0.0915                 0.0001
 Beta2  Fr= 1--      1.7171                 0.7764                 0.1901
 AlphaG Fr= 1--      0.0428                -0.1539                -0.0001
 Gamma2 Fr= 1--      4.7524                -1.7755                 2.6498
 Delta2 Fr= 1--      0.8367                -0.1254                 1.0141
 Raman1 Fr= 1--      49.968                 38.202                  5.335
 ROA1   Fr= 1--     483.002               -174.462                286.829
 CID1   Fr= 1--       9.666                 -4.567                 53.760
 Raman2 Fr= 1--      20.605                  9.316                  2.281
 ROA2   Fr= 1--     107.363                -41.609                 55.482
 CID2   Fr= 1--       5.210                 -4.466                 24.324
 Raman3 Fr= 1--      41.211                 18.633                  4.562
 ROA3   Fr= 1--     483.002               -174.462                286.829
 CID3   Fr= 1--      11.720                 -9.363                 62.874
 RC180  Fr= 1--       0.649                 -0.025                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0079                 5.6769                 4.4405
  Dep-P Fr= 1--      0.7337                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8464                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0011                 0.8109                 0.6343
 AlphaG Fr= 1--     -0.0000                -0.0007                -0.0000
 Gamma2 Fr= 1--     -0.0276                 0.0555                 3.0948
 Delta2 Fr= 1--     -0.0308                 3.0673                 3.6596
 Raman1 Fr= 1--       0.032                 22.708                 17.762
 ROA1   Fr= 1--      -3.632                103.481                414.203
 CID1   Fr= 1--    -114.654                  4.557                 23.320
 Raman2 Fr= 1--       0.013                  9.731                  7.612
 ROA2   Fr= 1--      -0.416                -23.207                 44.998
 CID2   Fr= 1--     -31.028                 -2.385                  5.911
 Raman3 Fr= 1--       0.027                 19.462                 15.224
 ROA3   Fr= 1--      -3.632                103.481                414.203
 CID3   Fr= 1--    -135.464                  5.317                 27.207
 RC180  Fr= 1--       0.693                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     11.3430                 3.9035                 1.6553
  Dep-P Fr= 1--      0.7500                 0.7476                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8556                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      1.6204                 0.5566                 0.2365
 AlphaG Fr= 1--      0.0004                -0.0011                -0.0000
 Gamma2 Fr= 1--    -13.3347                 5.8457                 3.1563
 Delta2 Fr= 1--     -5.5606                 1.2924                 0.3643
 Raman1 Fr= 1--      45.372                 15.614                  6.621
 ROA1   Fr= 1--   -1458.073                602.545                314.659
 CID1   Fr= 1--     -32.136                 38.590                 47.523
 Raman2 Fr= 1--      19.445                  6.680                  2.838
 ROA2   Fr= 1--    -275.549                129.958                 72.837
 CID2   Fr= 1--     -14.171                 19.456                 25.668
 Raman3 Fr= 1--      38.890                 13.359                  5.675
 ROA3   Fr= 1--   -1458.073                602.545                314.659
 CID3   Fr= 1--     -37.492                 45.103                 55.444
 RC180  Fr= 1--       0.714                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    331.5110                95.5323               193.4474
  Dep-P Fr= 1--      0.0217                 0.0896                 0.0392
  Dep-U Fr= 1--      0.0424                 0.1645                 0.0755
 Alpha2 Fr= 1--      7.0026                 1.7156                 3.9200
 Beta2  Fr= 1--      2.3417                 2.6189                 2.4353
 AlphaG Fr= 1--     -0.9705                -0.2407                 0.1931
 Gamma2 Fr= 1--    -20.1729                13.2741                 7.2527
 Delta2 Fr= 1--    -11.9164                10.6720                 6.3236
 Raman1 Fr= 1--    1326.044                382.129                773.790
 ROA1   Fr= 1--   -2317.921               1615.815                898.610
 CID1   Fr= 1--      -1.748                  4.228                  1.161
 Raman2 Fr= 1--      28.101                 31.427                 29.223
 ROA2   Fr= 1--    -388.818                233.201                123.475
 CID2   Fr= 1--     -13.836                  7.421                  4.225
 Raman3 Fr= 1--      56.202                 62.853                 58.447
 ROA3   Fr= 1--   -2317.921               1615.815                898.610
 CID3   Fr= 1--     -41.243                 25.708                 15.375
 RC180  Fr= 1--      -0.915                 -0.671                 -0.849
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     70.6392                18.7617                42.8114
  Dep-P Fr= 1--      0.5323                 0.7452                 0.7496
  Dep-U Fr= 1--      0.6948                 0.8540                 0.8568
 Alpha2 Fr= 1--      0.2973                 0.0015                 0.0003
 Beta2  Fr= 1--      8.1798                 2.6705                 6.1138
 AlphaG Fr= 1--     -0.0818                -0.0003                 0.0000
 Gamma2 Fr= 1--      6.6687                 8.6524                -6.2088
 Delta2 Fr= 1--      6.3841                 4.5988                -5.4576
 Raman1 Fr= 1--     282.557                 75.047                171.246
 ROA1   Fr= 1--     844.489                977.789               -770.686
 CID1   Fr= 1--       2.989                 13.029                 -4.500
 Raman2 Fr= 1--      98.158                 32.046                 73.366
 ROA2   Fr= 1--     108.977                170.866               -105.350
 CID2   Fr= 1--       1.110                  5.332                 -1.436
 Raman3 Fr= 1--     196.316                 64.091                146.732
 ROA3   Fr= 1--     844.489                977.789               -770.686
 CID3   Fr= 1--       4.302                 15.256                 -5.252
 RC180  Fr= 1--       0.390                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    125.1275               153.9172               136.9610
  Dep-P Fr= 1--      0.7484                 0.2273                 0.3389
  Dep-U Fr= 1--      0.8561                 0.3704                 0.5062
 Alpha2 Fr= 1--      0.0035                 1.9424                 1.2461
 Beta2  Fr= 1--     17.8531                 9.5016                11.5554
 AlphaG Fr= 1--      0.0004                 0.2718                -0.5579
 Gamma2 Fr= 1--    -51.4639                 1.3210                30.3296
 Delta2 Fr= 1--    -39.0396                 3.9891                 9.9290
 Raman1 Fr= 1--     500.510                615.669                547.844
 ROA1   Fr= 1--   -6189.801                254.466               3229.368
 CID1   Fr= 1--     -12.367                  0.413                  5.895
 Raman2 Fr= 1--     214.237                114.019                138.665
 ROA2   Fr= 1--    -922.816                 -0.210                648.479
 CID2   Fr= 1--      -4.307                 -0.002                  4.677
 Raman3 Fr= 1--     428.474                228.039                277.329
 ROA3   Fr= 1--   -6189.801                254.466               3229.368
 CID3   Fr= 1--     -14.446                  1.116                 11.645
 RC180  Fr= 1--       0.712                 -0.259                  0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     28.1846                68.6530                49.2344
  Dep-P Fr= 1--      0.7500                 0.7487                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8563                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0000
 Beta2  Fr= 1--      4.0262                 9.7976                 7.0335
 AlphaG Fr= 1--      0.0001                 0.0022                -0.0000
 Gamma2 Fr= 1--     18.9262                38.8042               -30.7682
 Delta2 Fr= 1--      4.1702                 5.3242                -3.6493
 Raman1 Fr= 1--     112.738                274.612                196.938
 ROA1   Fr= 1--    1950.359               3895.575              -3070.524
 CID1   Fr= 1--      17.300                 14.186                -15.591
 Raman2 Fr= 1--      48.315                117.572                 84.402
 ROA2   Fr= 1--     420.866                888.707               -709.243
 CID2   Fr= 1--       8.711                  7.559                 -8.403
 Raman3 Fr= 1--      96.629                235.144                168.803
 ROA3   Fr= 1--    1950.359               3895.575              -3070.524
 CID3   Fr= 1--      20.184                 16.567                -18.190
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.3750                 1.7012                 2.2955
  Dep-P Fr= 1--      0.7171                 0.7201                 0.7248
  Dep-U Fr= 1--      0.8352                 0.8373                 0.8404
 Alpha2 Fr= 1--      0.0031                 0.0009                 0.0010
 Beta2  Fr= 1--      0.7482                 0.2374                 0.3215
 AlphaG Fr= 1--      0.0060                 0.0123                 0.0152
 Gamma2 Fr= 1--     15.0220                 4.2381                 6.1517
 Delta2 Fr= 1--     -0.1248                -0.3881                -0.5299
 Raman1 Fr= 1--      21.500                  6.805                  9.182
 ROA1   Fr= 1--    1438.118                394.438                573.609
 CID1   Fr= 1--      66.889                 57.963                 62.471
 Raman2 Fr= 1--       8.979                  2.849                  3.858
 ROA2   Fr= 1--     361.527                104.819                151.881
 CID2   Fr= 1--      40.265                 36.794                 39.364
 Raman3 Fr= 1--      17.957                  5.698                  7.717
 ROA3   Fr= 1--    1438.118                394.438                573.609
 CID3   Fr= 1--      80.085                 69.228                 74.333
 RC180  Fr= 1--       0.670                  0.675                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     21.1321                13.8892               415.5821
  Dep-P Fr= 1--      0.6539                 0.7199                 0.0136
  Dep-U Fr= 1--      0.7907                 0.8371                 0.0268
 Alpha2 Fr= 1--      0.0364                 0.0072                 8.9463
 Beta2  Fr= 1--      2.7850                 1.9379                 1.8573
 AlphaG Fr= 1--     -0.0557                -0.0041                -0.1248
 Gamma2 Fr= 1--     -5.2223                -4.8517               -13.0139
 Delta2 Fr= 1--     -1.5690                 0.8109                -3.2262
 Raman1 Fr= 1--      84.529                 55.557               1662.328
 ROA1   Fr= 1--    -551.552               -439.812              -1352.575
 CID1   Fr= 1--      -6.525                 -7.916                 -0.814
 Raman2 Fr= 1--      33.420                 23.255                 22.287
 ROA2   Fr= 1--    -112.784               -122.927               -286.524
 CID2   Fr= 1--      -3.375                 -5.286                -12.856
 Raman3 Fr= 1--      66.841                 46.509                 44.574
 ROA3   Fr= 1--    -551.552               -439.812              -1352.575
 CID3   Fr= 1--      -8.252                 -9.456                -30.344
 RC180  Fr= 1--       0.581                  0.674                 -0.946
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     24.1082                21.3072                28.0849
  Dep-P Fr= 1--      0.7449                 0.5758                 0.6978
  Dep-U Fr= 1--      0.8538                 0.7308                 0.8220
 Alpha2 Fr= 1--      0.0021                 0.0698                 0.0256
 Beta2  Fr= 1--      3.4307                 2.5952                 3.8475
 AlphaG Fr= 1--      0.0102                 0.3043                -0.1154
 Gamma2 Fr= 1--    -33.7325                35.2161               -26.8434
 Delta2 Fr= 1--    -13.3184                18.5654               -11.8789
 Raman1 Fr= 1--      96.433                 85.229                112.340
 ROA1   Fr= 1--   -3664.509               3974.838              -2957.089
 CID1   Fr= 1--     -38.001                 46.637                -26.323
 Raman2 Fr= 1--      41.168                 31.142                 46.171
 ROA2   Fr= 1--    -703.034                696.663               -549.209
 CID2   Fr= 1--     -17.077                 22.370                -11.895
 Raman3 Fr= 1--      82.337                 62.284                 92.341
 ROA3   Fr= 1--   -3664.509               3974.838              -2957.089
 CID3   Fr= 1--     -44.506                 63.818                -32.024
 RC180  Fr= 1--       0.708                  0.462                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--      9.9894                44.0851                20.4921
  Dep-P Fr= 1--      0.7066                 0.7138                 0.7445
  Dep-U Fr= 1--      0.8281                 0.8330                 0.8535
 Alpha2 Fr= 1--      0.0075                 0.0276                 0.0019
 Beta2  Fr= 1--      1.3787                 6.1204                 2.9151
 AlphaG Fr= 1--     -0.0268                 0.2424                 0.0138
 Gamma2 Fr= 1--    -12.2546                52.1412               -21.5664
 Delta2 Fr= 1--     -4.4908                 8.8828                 2.0858
 Raman1 Fr= 1--      39.958                176.341                 81.969
 ROA1   Fr= 1--   -1320.148               5289.806              -2003.630
 CID1   Fr= 1--     -33.039                 29.998                -24.444
 Raman2 Fr= 1--      16.545                 73.445                 34.981
 ROA2   Fr= 1--    -258.184               1180.327               -534.281
 CID2   Fr= 1--     -15.605                 16.071                -15.274
 Raman3 Fr= 1--      33.089                146.890                 69.961
 ROA3   Fr= 1--   -1320.148               5289.806              -2003.630
 CID3   Fr= 1--     -39.897                 36.012                -28.639
 RC180  Fr= 1--       0.656                  0.666                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152912D+03 -0.160078D-03 -0.217137D-02
      2  -0.160078D-03  0.151515D+03  0.530054D-01
      3  -0.217137D-02  0.530054D-01  0.120963D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.266531D+00 -0.433053D-01  0.106062D-02
      2  -0.211905D-01  0.408763D+01 -0.186757D+01
      3  -0.199481D-01 -0.152482D+01 -0.520024D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.846844D+02 -0.496464D+00  0.166620D-01
      2   0.906107D+02  0.527620D+00  0.134242D-01
      3  -0.592637D+01 -0.311561D-01 -0.300862D-01
      4  -0.517680D+00  0.930618D+02 -0.467739D+01
      5  -0.642541D-01  0.145703D+01 -0.880980D+01
      6  -0.920543D+01 -0.699515D-01 -0.512129D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.378194D+01 -0.381910D+01  0.312620D+01 -0.559817D+01  0.126096D+01
      2  -0.381910D+01  0.812016D+00 -0.452606D+00  0.126096D+01  0.274492D+01
      3   0.312620D+01 -0.452606D+00  0.796715D+00 -0.124580D+01  0.281416D+01
                 6             7             8             9            10 
      1  -0.124580D+01  0.252269D+01 -0.736969D+00  0.102883D+01  0.372909D+01
      2   0.281416D+01 -0.736969D+00  0.219202D+01  0.685921D+00  0.382085D+01
      3   0.600438D+00  0.102883D+01  0.685921D+00 -0.565877D+00 -0.311432D+01
                11            12            13            14            15 
      1   0.382085D+01 -0.311432D+01  0.560669D+01  0.132258D+01 -0.123677D+01
      2   0.865817D+00 -0.442923D+00  0.132258D+01 -0.273133D+01 -0.281858D+01
      3  -0.442923D+00  0.784635D+00 -0.123677D+01 -0.281858D+01 -0.597195D+00
                16            17            18            19            20 
      1  -0.251227D+01 -0.727304D+00  0.102178D+01 -0.825781D+01 -0.449260D+01
      2  -0.727304D+00 -0.219549D+01 -0.681360D+00 -0.449260D+01 -0.145606D+01
      3   0.102178D+01 -0.681360D+00  0.566973D+00  0.479451D+01  0.128311D+01
                21            22            23            24            25 
      1   0.479451D+01 -0.180878D+01 -0.618464D+00  0.227590D+00  0.310595D+01
      2   0.128311D+01 -0.618464D+00  0.143256D+01  0.137191D+01  0.110392D+01
      3  -0.204774D+01  0.227590D+00  0.137191D+01 -0.750719D+00 -0.187253D+01
                26            27            28            29            30 
      1   0.110392D+01 -0.187253D+01  0.145137D+01  0.463363D-02  0.969565D-02
      2   0.182185D+01 -0.993195D+00  0.463363D-02 -0.157152D+01 -0.161620D+01
      3  -0.993195D+00 -0.150373D+01  0.969565D-02 -0.161620D+01  0.197523D+00
                31            32            33            34            35 
      1   0.364054D-02 -0.158199D+01  0.181162D+01  0.153084D-01 -0.133949D+00
      2  -0.158199D+01 -0.869134D-02  0.108984D-02 -0.133949D+00  0.148510D-01
      3   0.181162D+01  0.108984D-02  0.521623D-03  0.166315D+00  0.682033D-03
                36            37            38            39            40 
      1   0.166315D+00  0.491178D+01  0.365384D+01 -0.180413D+01  0.564189D+01
      2   0.682033D-03  0.365384D+01  0.136707D+01 -0.291135D+01  0.312872D+01
      3   0.428264D-02 -0.180413D+01 -0.291135D+01  0.185656D+01 -0.351991D+01
                41            42            43            44            45 
      1   0.312872D+01 -0.351991D+01 -0.149880D+01 -0.190195D+01  0.233342D+01
      2   0.285078D+01 -0.250101D+01 -0.190195D+01 -0.147284D+01 -0.125188D+00
      3  -0.250101D+01  0.518776D+00  0.233342D+01 -0.125188D+00  0.527574D+00
                46            47            48            49            50 
      1  -0.269531D+01 -0.986106D+00 -0.313547D+00 -0.197582D+01 -0.198235D+01
      2  -0.986106D+00 -0.876523D+00  0.308889D+01 -0.198235D+01 -0.112047D+01
      3  -0.313547D+00  0.308889D+01 -0.180579D+01  0.310657D+01  0.247540D+01
                51            52            53            54            55 
      1   0.310657D+01  0.145396D+00  0.438952D+01 -0.275590D+01  0.596639D+00
      2   0.247540D+01  0.438952D+01  0.315432D+01 -0.790306D+00 -0.712359D+00
      3  -0.179598D+00 -0.275590D+01 -0.790306D+00  0.332305D+00  0.994040D+00
                56            57            58            59            60 
      1  -0.712359D+00  0.994040D+00 -0.294923D+00 -0.264301D+00 -0.273706D+01
      2  -0.162155D+01 -0.268614D+01 -0.264301D+00 -0.475765D+01 -0.311130D+01
      3  -0.268614D+01  0.862849D+00 -0.273706D+01 -0.311130D+01 -0.144162D+01
                61            62            63            64            65 
      1   0.154590D+01 -0.338210D+01  0.822324D+00  0.119115D+01  0.218422D+00
      2  -0.338210D+01 -0.461742D+01 -0.250027D+01  0.218422D+00  0.318766D+01
      3   0.822324D+00 -0.250027D+01 -0.181068D+00 -0.583234D+00  0.215659D+01
                66            67            68            69            70 
      1  -0.583234D+00 -0.301412D+00  0.604105D+00  0.157960D+01 -0.323076D+00
      2   0.215659D+01  0.604105D+00  0.104166D+02  0.461636D+01  0.989292D+00
      3  -0.558481D+00  0.157960D+01  0.461636D+01  0.162546D+01 -0.128235D+01
                71            72            73            74            75 
      1   0.989292D+00 -0.128235D+01 -0.829514D+01  0.447982D+01 -0.480292D+01
      2   0.307094D+01  0.183931D+01  0.447982D+01 -0.141920D+01  0.128160D+01
      3   0.183931D+01 -0.538833D+00 -0.480292D+01  0.128160D+01 -0.206539D+01
                76            77            78            79            80 
      1   0.178670D+01 -0.589860D+00  0.219649D+00 -0.312239D+01  0.111364D+01
      2  -0.589860D+00 -0.143835D+01 -0.137579D+01  0.111364D+01 -0.182757D+01
      3   0.219649D+00 -0.137579D+01  0.734634D+00 -0.189162D+01  0.981565D+00
                81            82            83            84            85 
      1  -0.189162D+01  0.494957D+01 -0.364910D+01  0.181863D+01 -0.564115D+01
      2   0.981565D+00 -0.364910D+01  0.136133D+01 -0.292652D+01  0.311926D+01
      3   0.150075D+01  0.181863D+01 -0.292652D+01  0.185240D+01 -0.353672D+01
                86            87            88            89            90 
      1   0.311926D+01 -0.353672D+01  0.149772D+01 -0.191470D+01  0.232983D+01
      2  -0.282428D+01  0.246871D+01 -0.191470D+01  0.144473D+01  0.136760D+00
      3   0.246871D+01 -0.511244D+00  0.232983D+01  0.136760D+00 -0.518692D+00
                91            92            93            94            95 
      1  -0.271557D+01  0.989071D+00  0.285228D+00  0.198144D+01 -0.199387D+01
      2   0.989071D+00 -0.905231D+00  0.311347D+01 -0.199387D+01  0.113643D+01
      3   0.285228D+00  0.311347D+01 -0.179874D+01  0.312726D+01 -0.245729D+01
                96            97            98            99           100 
      1   0.312726D+01 -0.176265D+00  0.440630D+01 -0.274657D+01  0.590443D+00
      2  -0.245729D+01  0.440630D+01 -0.312346D+01  0.776708D+00  0.727248D+00
      3   0.170954D+00 -0.274657D+01  0.776708D+00 -0.339117D+00 -0.965270D+00
               101           102           103           104           105 
      1   0.727248D+00 -0.965270D+00  0.298211D+00 -0.262616D+00 -0.275526D+01
      2  -0.162445D+01 -0.270834D+01 -0.262616D+00  0.471279D+01  0.307778D+01
      3  -0.270834D+01  0.844250D+00 -0.275526D+01  0.307778D+01  0.145117D+01
               106           107           108           109           110 
      1  -0.151453D+01 -0.341011D+01  0.797631D+00  0.119536D+01 -0.226920D+00
      2  -0.341011D+01  0.458532D+01  0.251772D+01 -0.226920D+00  0.322137D+01
      3   0.797631D+00  0.251772D+01  0.191128D+00  0.564696D+00  0.217709D+01
               111           112           113           114           115 
      1   0.564696D+00  0.297359D+00  0.639201D+00  0.159720D+01  0.314615D+00
      2   0.217709D+01  0.639201D+00 -0.103810D+02 -0.459662D+01  0.100104D+01
      3  -0.546082D+00  0.159720D+01 -0.459662D+01 -0.163318D+01 -0.127007D+01
               116           117           118           119           120 
      1   0.100104D+01 -0.127007D+01  0.491953D+01  0.192635D+00  0.150373D+01
      2  -0.307524D+01 -0.185646D+01  0.192635D+00  0.128350D+01 -0.268352D+00
      3  -0.185646D+01  0.538739D+00  0.150373D+01 -0.268352D+00  0.140420D+01
               121           122           123           124           125 
      1  -0.789064D+00  0.845963D+00 -0.550162D+00  0.259438D+01 -0.471270D+00
      2   0.845963D+00 -0.828940D+00  0.316303D+00 -0.471270D+00  0.768656D+00
      3  -0.550162D+00  0.316303D+00 -0.397090D+00  0.193171D+01  0.484940D-01
               126           127           128           129           130 
      1   0.193171D+01  0.424479D+01  0.274946D+01 -0.147957D+01  0.286507D+01
      2   0.484940D-01  0.274946D+01  0.245645D+01 -0.134710D+01  0.303651D+01
      3   0.206776D+01 -0.147957D+01 -0.134710D+01  0.137181D+01 -0.142371D+01
               131           132           133           134           135 
      1   0.303651D+01 -0.142371D+01 -0.262777D+01 -0.267099D+01  0.240679D+01
      2   0.529093D+01 -0.193926D+01 -0.267099D+01 -0.298107D+01  0.232070D+01
      3  -0.193926D+01  0.154563D+01  0.240679D+01  0.232070D+01 -0.269512D+01
               136           137           138           139           140 
      1  -0.245403D+01  0.102165D+01 -0.105487D+01  0.915484D+00 -0.110550D+01
      2   0.102165D+01 -0.220019D+01  0.845870D+00 -0.110550D+01  0.341878D+01
      3  -0.105487D+01  0.845870D+00 -0.112724D+01  0.549823D+00 -0.894382D+00
               141           142           143           144           145 
      1   0.549823D+00 -0.174208D+01  0.971925D+00 -0.995405D+00  0.147594D+01
      2  -0.894382D+00  0.971925D+00 -0.176560D+01  0.166232D+01  0.194218D+01
      3   0.968262D+00 -0.995405D+00  0.166232D+01 -0.219117D+01  0.553863D+00
               146           147           148           149           150 
      1   0.194218D+01  0.553863D+00  0.150579D+01  0.186801D+01  0.813329D+00
      2   0.220944D+01  0.879448D+00  0.186801D+01  0.878550D+01  0.270845D+01
      3   0.879448D+00  0.597543D+00  0.813329D+00  0.270845D+01  0.189443D+01
               151           152           153           154           155 
      1   0.512344D+00  0.142355D+01  0.734307D+00 -0.243206D+01 -0.103026D+01
      2   0.142355D+01  0.490831D+01  0.309193D+01 -0.103026D+01 -0.219587D+01
      3   0.734307D+00  0.309193D+01  0.245479D+01  0.104135D+01  0.851348D+00
               156           157           158           159           160 
      1   0.104135D+01 -0.926247D+00 -0.109885D+01  0.553746D+00  0.172599D+01
      2   0.851348D+00 -0.109885D+01 -0.345375D+01  0.897360D+00  0.977692D+00
      3  -0.111817D+01  0.553746D+00  0.897360D+00 -0.976207D+00 -0.982228D+00
               161           162           163           164           165 
      1   0.977692D+00 -0.982228D+00  0.150078D+01 -0.195383D+01 -0.566060D+00
      2   0.177383D+01 -0.166961D+01 -0.195383D+01  0.223320D+01  0.893683D+00
      3  -0.166961D+01  0.218205D+01 -0.566060D+00  0.893683D+00  0.611461D+00
               166           167           168           169           170 
      1  -0.151351D+01  0.188521D+01  0.823949D+00 -0.528509D+00  0.144514D+01
      2   0.188521D+01 -0.873086D+01 -0.270292D+01  0.144514D+01 -0.490259D+01
      3   0.823949D+00 -0.270292D+01 -0.189603D+01  0.751950D+00 -0.309697D+01
               171           172           173           174           175 
      1   0.751950D+00  0.492347D+01 -0.182092D+00 -0.149613D+01  0.799847D+00
      2  -0.309697D+01 -0.182092D+00  0.128256D+01 -0.275195D+00  0.849082D+00
      3  -0.246891D+01 -0.149613D+01 -0.275195D+00  0.139944D+01 -0.556191D+00
               176           177           178           179           180 
      1   0.849082D+00 -0.556191D+00 -0.257969D+01 -0.483039D+00  0.192581D+01
      2   0.873040D+00 -0.330034D+00 -0.483039D+00 -0.788138D+00 -0.301624D-01
      3  -0.330034D+00  0.410093D+00  0.192581D+01 -0.301624D-01 -0.206539D+01
               181           182           183           184           185 
      1   0.427903D+01 -0.275806D+01  0.148907D+01 -0.287478D+01  0.304024D+01
      2  -0.275806D+01  0.246439D+01 -0.135109D+01  0.304024D+01 -0.526632D+01
      3   0.148907D+01 -0.135109D+01  0.137571D+01 -0.142621D+01  0.192738D+01
               186           187           188           189           190 
      1  -0.142621D+01  0.264311D+01 -0.267133D+01  0.241127D+01  0.436473D+01
      2   0.192738D+01 -0.267133D+01  0.295796D+01 -0.230946D+01  0.950669D+00
      3  -0.153943D+01  0.241127D+01 -0.230946D+01  0.268980D+01  0.177734D+01
               191           192           193           194           195 
      1   0.950669D+00  0.177734D+01  0.256588D+01  0.821280D-01  0.185030D+01
      2   0.163685D+01  0.803350D+00  0.821280D-01  0.192394D+01  0.128601D-01
      3   0.803350D+00  0.144982D+01  0.185030D+01  0.128601D-01  0.131853D+01
               196           197           198           199           200 
      1   0.958085D+00  0.105051D+01  0.933000D+00 -0.166043D+01  0.128672D+01
      2   0.105051D+01  0.177757D+00  0.573991D+00  0.128672D+01 -0.984001D+00
      3   0.933000D+00  0.573991D+00  0.174119D+01 -0.130075D+00  0.996053D+00
               201           202           203           204           205 
      1  -0.130075D+00  0.314283D-01 -0.482758D-01  0.329107D+00  0.116038D+01
      2   0.996053D+00 -0.482758D-01 -0.120398D+01  0.905524D+00 -0.228670D+00
      3  -0.159110D+01  0.329107D+00  0.905524D+00 -0.130076D+01  0.127413D+00
               206           207           208           209           210 
      1  -0.228670D+00  0.127413D+00 -0.343350D+01 -0.108300D+01 -0.155370D+01
      2   0.129283D+01 -0.130526D+01 -0.108300D+01 -0.355092D+01 -0.193006D+01
      3  -0.130526D+01  0.564868D+01 -0.155370D+01 -0.193006D+01 -0.184156D+01
               211           212           213           214           215 
      1  -0.164030D+01 -0.129742D+01 -0.940916D+00 -0.125619D+01 -0.855362D+00
      2  -0.129742D+01 -0.130510D+01 -0.209907D+00 -0.855362D+00  0.120326D+00
      3  -0.940916D+00 -0.209907D+00 -0.687562D+00 -0.975457D+00 -0.595128D+00
               216           217           218           219           220 
      1  -0.975457D+00  0.862764D+00 -0.652962D+00 -0.123644D+01 -0.453811D+00
      2  -0.595128D+00 -0.652962D+00  0.153835D+01  0.453791D+00 -0.560200D-01
      3  -0.176824D+01 -0.123644D+01  0.453791D+00  0.193031D+01 -0.221962D+00
               221           222           223           224           225 
      1  -0.560200D-01 -0.221962D+00 -0.108814D+01  0.191456D+00  0.111634D+01
      2   0.212453D+01  0.380591D+00  0.191456D+00 -0.140688D+01 -0.810562D+00
      3   0.380591D+00  0.624290D+00  0.111634D+01 -0.810562D+00 -0.550047D+01
               226           227           228           229           230 
      1   0.494536D+00  0.411273D+00  0.847617D+00  0.247984D+01 -0.112918D+01
      2   0.411273D+00 -0.101321D+01 -0.138856D+00 -0.112918D+01  0.571333D+01
      3   0.847617D+00 -0.138856D+00  0.211489D+00  0.860858D+00 -0.891802D+00
               231           232           233           234           235 
      1   0.860858D+00  0.178779D+01 -0.404022D+00  0.570908D+00  0.943602D+00
      2  -0.891802D+00 -0.404022D+00  0.990037D-03  0.470986D+00 -0.781021D+00
      3   0.123265D+01  0.570908D+00  0.470986D+00 -0.210588D+00  0.459290D-01
               236           237           238           239           240 
      1  -0.781021D+00  0.459290D-01 -0.127458D+01  0.119338D+00 -0.445275D+00
      2  -0.577036D-01 -0.375913D+00  0.119338D+00  0.706999D+00 -0.559651D+00
      3  -0.375913D+00  0.651999D+00 -0.445275D+00 -0.559651D+00 -0.324443D+00
               241           242           243           244           245 
      1  -0.181961D+01  0.241643D+00 -0.913899D+00 -0.346130D+01  0.107903D+01
      2   0.241643D+00 -0.989291D+00  0.110438D+01  0.107903D+01 -0.355789D+01
      3  -0.913899D+00  0.110438D+01 -0.698747D+01  0.156950D+01 -0.192463D+01
               246           247           248           249           250 
      1   0.156950D+01  0.162968D+01 -0.129818D+01 -0.934909D+00  0.126570D+01
      2  -0.192463D+01 -0.129818D+01  0.127750D+01  0.201112D+00 -0.848400D+00
      3  -0.184637D+01 -0.934909D+00  0.201112D+00  0.682479D+00 -0.978822D+00
               251           252           253           254           255 
      1  -0.848400D+00 -0.978822D+00  0.859533D+00  0.651870D+00  0.123953D+01
      2  -0.121781D+00  0.595433D+00  0.651870D+00  0.155298D+01  0.462069D+00
      3   0.595433D+00  0.177235D+01  0.123953D+01  0.462069D+00  0.193829D+01
               256           257           258           259           260 
      1   0.458569D+00 -0.433768D-01 -0.216046D+00  0.108837D+01  0.192445D+00
      2  -0.433768D-01 -0.211802D+01 -0.378936D+00  0.192445D+00  0.141147D+01
      3  -0.216046D+00 -0.378936D+00 -0.611638D+00  0.111740D+01  0.820658D+00
               261           262           263           264           265 
      1   0.111740D+01  0.438565D+01 -0.948220D+00 -0.177772D+01 -0.255507D+01
      2   0.820658D+00 -0.948220D+00  0.166143D+01  0.787119D+00  0.938731D-01
      3   0.550060D+01 -0.177772D+01  0.787119D+00  0.145019D+01  0.183400D+01
               266           267           268           269           270 
      1   0.938731D-01  0.183400D+01 -0.954405D+00  0.104259D+01  0.929286D+00
      2  -0.198259D+01  0.270138D-01  0.104259D+01 -0.132749D+00 -0.584632D+00
      3   0.270138D-01 -0.131971D+01  0.929286D+00 -0.584632D+00 -0.171931D+01
               271           272           273           274           275 
      1  -0.164817D+01 -0.128944D+01  0.126569D+00 -0.401359D-01 -0.564359D-01
      2  -0.128944D+01 -0.991949D+00  0.994468D+00 -0.564359D-01  0.119576D+01
      3   0.126569D+00  0.994468D+00 -0.158924D+01  0.330104D+00 -0.897631D+00
               276           277           278           279           280 
      1   0.330104D+00 -0.116232D+01 -0.234259D+00  0.132230D+00 -0.960763D+00
      2  -0.897631D+00 -0.234259D+00 -0.129264D+01  0.129904D+01 -0.689404D+00
      3   0.128796D+01  0.132230D+00  0.129904D+01 -0.566015D+01 -0.996841D+00
               281           282           283           284           285 
      1  -0.689404D+00 -0.996841D+00 -0.152377D+01 -0.128170D+01 -0.559947D+00
      2  -0.423541D+00 -0.190943D+00 -0.128170D+01 -0.406648D+01 -0.200378D+01
      3  -0.190943D+00 -0.418778D+00 -0.559947D+00 -0.200378D+01 -0.223085D+01
               286           287           288           289           290 
      1  -0.164899D+01 -0.410184D+00 -0.903865D+00 -0.907424D+01  0.227344D+01
      2  -0.410184D+00 -0.153944D+01 -0.146881D+01  0.227344D+01 -0.159293D+01
      3  -0.903865D+00 -0.146881D+01 -0.214826D+01 -0.245632D+01  0.599421D+00
               291           292           293           294           295 
      1  -0.245632D+01  0.444148D+01 -0.243643D+01  0.143004D+01 -0.272222D+01
      2   0.599421D+00 -0.243643D+01  0.139337D+01 -0.122794D+01  0.759723D+00
      3  -0.183647D+01  0.143004D+01 -0.122794D+01  0.928159D+00 -0.238514D+01
               296           297           298           299           300 
      1   0.759723D+00 -0.238514D+01 -0.904371D+01 -0.229630D+01  0.243879D+01
      2  -0.757185D+00  0.637808D+00 -0.229630D+01 -0.160910D+01  0.601471D+00
      3   0.637808D+00 -0.149512D+01  0.243879D+01  0.601471D+00 -0.182547D+01
               301           302           303           304           305 
      1  -0.446728D+01 -0.246138D+01  0.143101D+01  0.270384D+01  0.763786D+00
      2  -0.246138D+01 -0.142125D+01  0.123240D+01  0.763786D+00  0.760764D+00
      3   0.143101D+01  0.123240D+01 -0.932776D+00 -0.237457D+01 -0.645681D+00
               306           307           308           309           310 
      1  -0.237457D+01 -0.958426D+00  0.707268D+00  0.995369D+00  0.155086D+01
      2  -0.645681D+00  0.707268D+00 -0.435373D+00 -0.199994D+00 -0.129088D+01
      3   0.148464D+01  0.995369D+00 -0.199994D+00 -0.428827D+00 -0.571853D+00
               311           312           313           314           315 
      1  -0.129088D+01 -0.571853D+00  0.165008D+01 -0.414237D+00 -0.911154D+00
      2   0.406058D+01  0.199849D+01 -0.414237D+00  0.153437D+01  0.146417D+01
      3   0.199849D+01  0.222930D+01 -0.911154D+00  0.146417D+01  0.214490D+01
               316           317           318           319           320 
      1   0.931674D+00  0.785771D+00 -0.432485D-01  0.128426D+01  0.129282D+00
      2   0.785771D+00 -0.511143D-01 -0.375368D+00  0.129282D+00 -0.700819D+00
      3  -0.432485D-01 -0.375368D+00  0.644398D+00 -0.449795D+00  0.555159D+00
               321           322           323           324           325 
      1  -0.449795D+00  0.181791D+01  0.245452D+00 -0.916418D+00  0.507066D+00
      2   0.555159D+00  0.245452D+00  0.988458D+00 -0.109677D+01 -0.395059D+00
      3   0.339222D+00 -0.916418D+00 -0.109677D+01  0.699027D+01 -0.847257D+00
               326           327           328           329           330 
      1  -0.395059D+00 -0.847257D+00 -0.246530D+01 -0.112736D+01  0.852734D+00
      2  -0.996094D+00 -0.147270D+00 -0.112736D+01 -0.571847D+01  0.908783D+00
      3  -0.147270D+00  0.213839D+00  0.852734D+00  0.908783D+00 -0.123289D+01
               331           332           333 
      1  -0.177827D+01 -0.410755D+00  0.567451D+00
      2  -0.410755D+00  0.961482D-02 -0.468755D+00
      3   0.567451D+00 -0.468755D+00  0.218723D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.220425D+01 -0.255343D+00  0.700881D-01  0.593954D+00 -0.195157D+01
      2  -0.451942D+01 -0.664400D+01  0.716536D+01 -0.764073D+01 -0.784560D+01
      3  -0.924633D+01 -0.205139D+01  0.289290D+01  0.117203D+01  0.987301D+01
                 6             7             8             9            10 
      1  -0.416189D+01  0.583361D+00 -0.428206D+00 -0.613159D+00  0.219255D+01
      2  -0.598140D+01  0.244256D+01 -0.761289D+00  0.113203D+01  0.457729D+01
      3   0.828070D+01  0.373010D+01  0.884175D+01  0.357144D+01  0.925637D+01
                11            12            13            14            15 
      1   0.320245D+00 -0.861642D-01 -0.530751D+00 -0.196361D+01 -0.417533D+01
      2  -0.666509D+01  0.715847D+01 -0.768867D+01  0.776948D+01  0.598267D+01
      3  -0.190418D+01  0.294518D+01  0.131988D+01 -0.986518D+01 -0.826972D+01
                16            17            18            19            20 
      1  -0.593358D+00 -0.425418D+00 -0.601570D+00 -0.669190D+00  0.664875D+01
      2   0.242468D+01  0.755264D+00 -0.111691D+01 -0.181627D+02 -0.110989D+01
      3   0.378309D+01 -0.884357D+01 -0.355937D+01 -0.120766D+02  0.288851D+01
                21            22            23            24            25 
      1   0.187317D+01  0.176493D+02  0.148786D+02 -0.984746D+01  0.108722D+02
      2  -0.160648D+01 -0.110709D+01 -0.282839D+01 -0.678206D+00 -0.236854D+02
      3   0.153269D+01  0.248501D+02  0.162834D+02 -0.942717D+01  0.282240D+01
                26            27            28            29            30 
      1   0.667373D+01 -0.129351D+02 -0.164435D+01  0.118161D-01  0.180855D-01
      2  -0.856031D+01  0.209640D+02 -0.640979D-01  0.115914D+01 -0.405830D+01
      3  -0.226898D+01  0.378327D-01 -0.364947D-01  0.766750D+01  0.132846D+01
                31            32            33            34            35 
      1  -0.228147D-01  0.366222D+00  0.500335D+01 -0.605587D-02 -0.112562D+02
      2  -0.383086D+00 -0.267279D-01 -0.146361D-02  0.122097D+02  0.313704D-01
      3  -0.966554D+01  0.319020D-02  0.486071D-01  0.315564D+00  0.148067D-01
                36            37            38            39            40 
      1   0.126284D+00 -0.640760D+01  0.746963D+01  0.672589D+01  0.119682D+02
      2  -0.270300D-01 -0.191261D+02 -0.830074D+01  0.755496D+01  0.118752D+01
      3  -0.191250D-01 -0.216140D+02 -0.324105D+01  0.116411D+02  0.180058D+02
                41            42            43            44            45 
      1   0.110003D+02 -0.425781D+01  0.119319D+02  0.915199D+01 -0.731237D+01
      2  -0.171041D+00 -0.924979D+01 -0.183519D+02 -0.171696D+02  0.176948D+02
      3   0.159219D+02 -0.781661D+01  0.460917D+01 -0.486630D+01  0.299748D+01
                46            47            48            49            50 
      1   0.576223D+01 -0.438803D+01  0.268874D+01 -0.385692D+01 -0.778642D+01
      2  -0.393794D+01  0.524184D+01 -0.187474D+01  0.395774D+01  0.539983D+01
      3  -0.384247D+01  0.182055D+00 -0.877828D+01  0.607362D+01 -0.290913D+01
                51            52            53            54            55 
      1  -0.640637D+01  0.103855D+01 -0.310673D+01  0.137329D+01 -0.791930D+00
      2   0.304406D+01 -0.383501D+01  0.396702D+01 -0.111107D+01 -0.912046D+00
      3  -0.292856D+01 -0.129301D+02 -0.154017D+01 -0.512141D+01  0.585590D+01
                56            57            58            59            60 
      1   0.846067D+01 -0.667014D+01  0.999424D+01  0.268979D+01 -0.715826D+00
      2  -0.372619D+01  0.432613D+01 -0.346290D+01  0.655815D-01  0.714796D+00
      3  -0.479930D+01  0.206895D+01  0.803204D+00  0.280624D+00 -0.901084D+01
                61            62            63            64            65 
      1  -0.622327D+01  0.360296D+00 -0.153625D+01  0.158328D+00  0.189539D+01
      2   0.167226D+00  0.107849D+01  0.610549D+00 -0.227947D+01  0.177879D+02
      3   0.562659D+01 -0.115902D+02  0.550100D+01 -0.294162D+00 -0.312932D+02
                66            67            68            69            70 
      1   0.649667D+01 -0.286986D+01 -0.179824D+02  0.175458D+01  0.680611D+01
      2   0.114826D+02  0.893665D+01 -0.275584D+01 -0.382129D+01  0.760312D+00
      3  -0.126380D+02 -0.891006D+01  0.625669D+01  0.646413D+01 -0.618680D+01
                71            72            73            74            75 
      1   0.290232D+02  0.181175D+02 -0.649222D+00 -0.669484D+01 -0.182353D+01
      2  -0.826906D+00  0.229282D+01  0.182797D+02 -0.110842D+01 -0.152032D+01
      3   0.181314D+01 -0.286174D+01  0.120532D+02  0.293977D+01  0.154484D+01
                76            77            78            79            80 
      1  -0.176769D+02  0.147835D+02 -0.981960D+01 -0.108246D+02  0.664956D+01
      2  -0.115593D+01  0.289894D+01  0.655168D+00 -0.236353D+02  0.852115D+01
      3   0.248456D+02 -0.161607D+02  0.937983D+01  0.286528D+01  0.225182D+01
                81            82            83            84            85 
      1  -0.128707D+02 -0.639777D+01 -0.750487D+01 -0.677091D+01 -0.120222D+02
      2  -0.210012D+02  0.190673D+02 -0.830242D+01  0.750726D+01  0.120998D+01
      3  -0.459788D-01  0.215072D+02 -0.315667D+01  0.116452D+02  0.181049D+02
                86            87            88            89            90 
      1   0.109857D+02 -0.432746D+01 -0.119141D+02  0.900581D+01 -0.724211D+01
      2   0.108881D+00  0.931958D+01 -0.183945D+02  0.171715D+02 -0.176855D+02
      3  -0.159499D+02  0.791267D+01  0.460994D+01  0.495331D+01 -0.302220D+01
                91            92            93            94            95 
      1   0.569612D+01  0.448068D+01 -0.264818D+01  0.391708D+01 -0.773953D+01
      2   0.390845D+01  0.534049D+01 -0.185839D+01  0.401079D+01 -0.539471D+01
      3   0.381318D+01  0.302639D+00 -0.881865D+01  0.611151D+01  0.286025D+01
                96            97            98            99           100 
      1  -0.640536D+01 -0.984221D+00 -0.312366D+01  0.135017D+01 -0.698453D+00
      2  -0.308007D+01 -0.379214D+01 -0.401236D+01  0.109955D+01  0.950522D+00
      3   0.288424D+01 -0.129267D+02  0.146938D+01  0.510969D+01 -0.583043D+01
               101           102           103           104           105 
      1  -0.850452D+01  0.661416D+01 -0.100255D+02  0.265627D+01 -0.650944D+00
      2  -0.375670D+01  0.434319D+01 -0.350278D+01 -0.874410D-01 -0.700822D+00
      3  -0.486006D+01  0.201167D+01  0.778811D+00 -0.348711D+00  0.904322D+01
               106           107           108           109           110 
      1   0.616605D+01  0.440112D+00 -0.150204D+01  0.142792D+00 -0.190952D+01
      2   0.173997D+00 -0.106957D+01 -0.610794D+00  0.219643D+01  0.177763D+02
      3   0.555890D+01  0.116545D+02 -0.545555D+01  0.431840D+00 -0.312727D+02
               111           112           113           114           115 
      1  -0.654489D+01  0.290865D+01 -0.180159D+02  0.167239D+01 -0.690061D+01
      2   0.114420D+02  0.893744D+01  0.280537D+01  0.387412D+01  0.725396D+00
      3  -0.126095D+02 -0.886016D+01 -0.640703D+01 -0.651353D+01 -0.616411D+01
               116           117           118           119           120 
      1   0.289947D+02  0.181417D+02 -0.421114D+01  0.110653D+01 -0.308281D+01
      2   0.919905D+00 -0.223739D+01  0.505428D+01 -0.109294D+01  0.526931D+01
      3  -0.183196D+01  0.285483D+01  0.115526D+02 -0.448290D+01  0.490779D+01
               121           122           123           124           125 
      1   0.165676D+01 -0.730840D+00  0.529012D+00 -0.430168D+01  0.188122D+01
      2  -0.194323D+01  0.102893D+01 -0.196969D+01  0.444171D+01 -0.341213D+00
      3  -0.393668D+01  0.646877D+01 -0.262261D+01  0.809270D+01 -0.435936D+01
               126           127           128           129           130 
      1  -0.579364D+01  0.165229D+01  0.106330D+01 -0.346004D+01  0.218069D+01
      2   0.679080D+01 -0.806809D+00 -0.116597D+01  0.341877D+01 -0.184892D+01
      3   0.463135D+01  0.440381D+01 -0.226363D+00 -0.897336D+00  0.127214D+01
               131           132           133           134           135 
      1   0.124156D+01 -0.411653D+01 -0.186512D+01  0.780620D-01  0.534215D+01
      2  -0.239012D+01  0.347970D+01  0.974586D+00  0.195967D+01 -0.490177D+01
      3  -0.519115D+01  0.657023D+00  0.818698D+00  0.362627D+01  0.206482D+00
               136           137           138           139           140 
      1   0.456819D+01 -0.330302D+01  0.496534D+01 -0.240153D+01  0.345876D+01
      2  -0.951620D+00  0.664015D+00  0.342380D+00  0.583516D+00 -0.611559D+00
      3  -0.118161D+02  0.349619D+01 -0.507440D+01  0.422910D+01 -0.665067D+01
               141           142           143           144           145 
      1  -0.386146D+01  0.424257D+01 -0.413103D+01  0.899623D+01 -0.493372D+00
      2   0.230661D+00 -0.217034D+01  0.501405D+00 -0.161039D+01 -0.326004D+00
      3   0.272998D+01 -0.824493D+01  0.442423D+01 -0.483961D+01  0.313707D+01
               146           147           148           149           150 
      1  -0.222535D+01 -0.195718D+01 -0.922698D+00 -0.379266D+01 -0.674958D+01
      2   0.195803D+00  0.934891D+00 -0.430687D+00  0.130008D+01  0.201504D+01
      3   0.325117D+01  0.887857D+00  0.480772D+01 -0.236808D+01 -0.429585D+00
               151           152           153           154           155 
      1  -0.537978D+00 -0.242503D+01 -0.661584D+01  0.449870D+01  0.334668D+01
      2  -0.133638D+01  0.543697D+00  0.204413D+01  0.943251D+00  0.680186D+00
      3   0.252657D+01  0.251397D+01 -0.324484D+00  0.117363D+02  0.357853D+01
               156           157           158           159           160 
      1  -0.492682D+01  0.243540D+01  0.346428D+01 -0.390885D+01 -0.418383D+01
      2   0.335703D+00  0.599880D+00  0.618390D+00 -0.248052D+00 -0.216438D+01
      3  -0.502217D+01  0.430364D+01  0.668259D+01 -0.276910D+01 -0.818961D+01
               161           162           163           164           165 
      1  -0.418120D+01  0.896203D+01 -0.518354D+00  0.224162D+01  0.199548D+01
      2  -0.533556D+00  0.163352D+01  0.327684D+00  0.208957D+00  0.954333D+00
      3  -0.449193D+01  0.481248D+01 -0.318353D+01  0.323057D+01  0.898058D+00
               166           167           168           169           170 
      1   0.947251D+00 -0.378742D+01 -0.673659D+01  0.567692D+00 -0.243912D+01
      2  -0.419568D+00 -0.131799D+01 -0.203928D+01 -0.133492D+01 -0.558254D+00
      3   0.477477D+01  0.238732D+01  0.425932D+00  0.255021D+01 -0.251579D+01
               171           172           173           174           175 
      1  -0.664698D+01 -0.416175D+01 -0.112465D+01  0.305212D+01 -0.167155D+01
      2  -0.208175D+01 -0.503820D+01 -0.112968D+01  0.526354D+01 -0.198153D+01
      3   0.310999D+00 -0.115182D+02 -0.452900D+01  0.489639D+01 -0.397966D+01
               176           177           178           179           180 
      1  -0.807465D+00  0.569401D+00  0.426659D+01  0.195253D+01 -0.577391D+01
      2  -0.109502D+01  0.202680D+01  0.444765D+01  0.409605D+00 -0.681213D+01
      3  -0.664439D+01  0.269373D+01  0.806897D+01  0.447108D+01 -0.466332D+01
               181           182           183           184           185 
      1   0.165944D+01 -0.106735D+01  0.346255D+01 -0.216954D+01  0.121230D+01
      2   0.822861D+00 -0.118265D+01  0.344405D+01 -0.185832D+01  0.237194D+01
      3  -0.440908D+01 -0.277662D+00 -0.885752D+00  0.123545D+01  0.519069D+01
               186           187           188           189           190 
      1  -0.409139D+01  0.185077D+01  0.100834D+00  0.531227D+01  0.428848D+01
      2  -0.347977D+01  0.973988D+00 -0.193655D+01  0.490685D+01 -0.290291D+01
      3  -0.652772D+00  0.823307D+00 -0.359719D+01 -0.212102D+00 -0.681934D+01
               191           192           193           194           195 
      1   0.365745D+01  0.315244D+01  0.429370D+01  0.461707D+01  0.228940D+01
      2  -0.864202D+00  0.649845D+00 -0.447276D+01  0.102466D+01 -0.692823D+00
      3  -0.539384D+01 -0.354189D+01 -0.648129D+01 -0.528242D+01 -0.407997D+01
               196           197           198           199           200 
      1   0.193204D+01  0.249467D+01  0.241224D+01  0.126631D+01 -0.158145D+01
      2   0.564696D+00  0.541438D+00  0.107862D+01 -0.106149D+01  0.275543D+01
      3  -0.174249D+01 -0.126651D+01 -0.267546D+01 -0.209189D+01  0.240541D+01
               201           202           203           204           205 
      1  -0.759741D+00  0.240527D+00 -0.375609D+00 -0.708595D+00 -0.121720D+00
      2  -0.574237D+01  0.160194D+01  0.161810D+01 -0.257403D+01 -0.165590D+01
      3  -0.277040D+01  0.154221D+01  0.115404D+01 -0.161635D+01 -0.145759D+00
               206           207           208           209           210 
      1   0.143596D+01  0.402871D+01 -0.255298D+01  0.277356D+01 -0.194436D+01
      2  -0.263704D+01  0.111618D+02 -0.767479D+01 -0.405552D+01 -0.317075D+01
      3  -0.225612D+01  0.232574D+01  0.111376D+02  0.416935D+01  0.556431D+01
               211           212           213           214           215 
      1   0.917049D-01 -0.768327D+00 -0.160737D+01 -0.242671D+01 -0.329532D+00
      2  -0.191622D+01 -0.605216D+00 -0.948148D+00 -0.239614D+01 -0.314947D+00
      3   0.317082D+01  0.123313D+01  0.111638D+01  0.211162D+01  0.102460D+01
               216           217           218           219           220 
      1  -0.211874D+01 -0.226866D+01 -0.401554D-01  0.493713D+01 -0.375317D+00
      2  -0.177885D+01  0.181850D+01 -0.136999D+01 -0.150295D+01  0.647004D+00
      3   0.288613D+01 -0.221904D+01  0.908382D+00  0.284615D+01  0.178980D-01
               221           222           223           224           225 
      1   0.138246D+01  0.304643D+01  0.215497D+01  0.269515D+00 -0.114146D+02
      2  -0.219615D+01 -0.136692D+01 -0.248107D+01  0.693809D+00  0.177281D+01
      3   0.305883D+01  0.154445D+01  0.215745D+01 -0.107317D+01 -0.246537D+01
               226           227           228           229           230 
      1   0.766433D+00 -0.101596D+01  0.928507D+00  0.222205D+01 -0.980341D+01
      2   0.141873D+01  0.538217D+00  0.152604D+01  0.285531D+01  0.488561D+00
      3   0.318863D+00  0.604850D+00 -0.595448D+00  0.965822D+00  0.119844D+02
               231           232           233           234           235 
      1   0.509803D-01  0.233310D+01 -0.226574D+01  0.111415D+00 -0.183519D+01
      2  -0.925005D+00  0.165452D+01 -0.178964D+01  0.736326D+00  0.825047D+00
      3  -0.154717D+01 -0.171446D+00  0.208505D+01  0.346973D+00  0.166615D+01
               236           237           238           239           240 
      1   0.824692D+00 -0.193075D+01  0.874032D+00  0.202367D+00  0.165983D+01
      2   0.131292D+01 -0.270704D+01  0.615706D-01  0.141817D+01  0.880413D+00
      3  -0.760618D+00 -0.289751D+00  0.146616D+00  0.421377D+00 -0.164874D+01
               241           242           243           244           245 
      1   0.144573D+01  0.710312D+00  0.664310D+01 -0.260240D+01 -0.277483D+01
      2  -0.151517D+01 -0.253233D+01  0.135879D+02  0.771367D+01 -0.402437D+01
      3  -0.215547D+01 -0.140007D+01  0.137614D+01 -0.112359D+02  0.408586D+01
               246           247           248           249           250 
      1   0.197946D+01 -0.105626D+00 -0.791682D+00 -0.160089D+01  0.244532D+01
      2  -0.317602D+01 -0.187469D+01  0.590414D+00  0.927794D+00 -0.239859D+01
      3   0.558725D+01  0.309640D+01 -0.123965D+01 -0.109254D+01  0.213524D+01
               251           252           253           254           255 
      1  -0.317110D+00 -0.212949D+01 -0.227197D+01  0.279843D-01 -0.495645D+01
      2   0.307226D+00  0.177464D+01 -0.182858D+01 -0.138463D+01 -0.152622D+01
      3  -0.101922D+01 -0.289588D+01  0.222313D+01  0.933664D+00  0.285930D+01
               256           257           258           259           260 
      1   0.359057D+00  0.135950D+01  0.300823D+01 -0.215644D+01  0.251521D+00
      2   0.632764D+00  0.219946D+01  0.136961D+01 -0.249103D+01 -0.706511D+00
      3   0.347566D-01 -0.305141D+01 -0.153433D+01  0.216223D+01  0.108579D+01
               261           262           263           264           265 
      1  -0.114059D+02  0.430681D+01 -0.370291D+01 -0.312223D+01 -0.429804D+01
      2  -0.181596D+01  0.294540D+01 -0.911239D+00  0.658541D+00 -0.451347D+01
      3   0.247736D+01  0.688189D+01 -0.549208D+01 -0.350826D+01 -0.654180D+01
               266           267           268           269           270 
      1   0.476124D+01  0.218453D+01 -0.190757D+01  0.239438D+01  0.242721D+01
      2  -0.870397D+00  0.637679D+00  0.589807D+00 -0.603964D+00 -0.102854D+01
      3   0.553010D+01  0.393457D+01 -0.169869D+01  0.111639D+01  0.271549D+01
               271           272           273           274           275 
      1   0.124212D+01  0.156939D+01  0.780940D+00 -0.239902D+00 -0.368685D+00
      2   0.106737D+01  0.276522D+01 -0.573994D+01  0.160988D+01 -0.160128D+01
      3   0.208078D+01  0.240594D+01 -0.276083D+01  0.155279D+01 -0.113829D+01
               276           277           278           279           280 
      1  -0.705933D+00  0.122608D+00  0.143307D+01  0.408084D+01  0.663192D+00
      2   0.253524D+01 -0.164046D+01  0.262159D+01 -0.111801D+02  0.380210D+01
      3   0.160439D+01 -0.140781D+00  0.224980D+01 -0.230684D+01 -0.242758D+01
               281           282           283           284           285 
      1   0.145286D+00  0.164004D+00  0.134469D+01  0.500526D+01  0.549624D+00
      2  -0.406529D+00  0.333245D+00 -0.483939D+00  0.580847D+01  0.790996D+01
      3  -0.113733D+01 -0.485039D+00 -0.153189D+01 -0.153736D+02 -0.715962D+01
               286           287           288           289           290 
      1   0.112112D+00  0.292179D+01  0.108190D+01 -0.130661D+01  0.151015D+01
      2  -0.424948D+00  0.511578D+01  0.620429D+01 -0.748047D+00 -0.311406D+00
      3  -0.103081D+01 -0.573681D+01 -0.565710D+01  0.467452D+01 -0.630409D+01
               291           292           293           294           295 
      1  -0.782846D-01  0.156427D+01 -0.143477D+01 -0.133975D+00 -0.489099D-01
      2   0.582256D+01  0.371820D+01  0.122029D+01 -0.156840D+01  0.247775D+01
      3   0.203081D+01 -0.316417D+01  0.480548D+01 -0.327106D+01 -0.101842D+00
               296           297           298           299           300 
      1   0.130182D+01  0.529775D-01 -0.129930D+01 -0.150530D+01  0.531329D-01
      2  -0.158754D+01  0.273355D+01  0.731837D+00 -0.308843D+00  0.581454D+01
      3  -0.303938D+01  0.110954D+01 -0.466045D+01 -0.632143D+01  0.201666D+01
               301           302           303           304           305 
      1  -0.158466D+01 -0.144066D+01 -0.144843D+00  0.390186D-01  0.129127D+01
      2   0.373319D+01 -0.120579D+01  0.159359D+01  0.247476D+01  0.160061D+01
      3  -0.318882D+01 -0.485891D+01  0.327522D+01 -0.109030D+00  0.303494D+01
               306           307           308           309           310 
      1   0.620641D-01  0.726744D+00 -0.152229D+00 -0.176331D+00 -0.133954D+01
      2  -0.271257D+01 -0.384926D+01 -0.415359D+00  0.389525D+00 -0.496037D+00
      3  -0.111185D+01  0.254384D+01 -0.116933D+01 -0.544314D+00 -0.155464D+01
               311           312           313           314           315 
      1   0.501948D+01  0.561179D+00 -0.128848D+00  0.293008D+01  0.109657D+01
      2  -0.579932D+01 -0.790041D+01 -0.383065D+00 -0.509837D+01 -0.619769D+01
      3   0.154051D+02  0.714274D+01 -0.107298D+01  0.572861D+01  0.565352D+01
               316           317           318           319           320 
      1  -0.182665D+01 -0.836941D+00  0.192849D+01 -0.891484D+00  0.206829D+00
      2  -0.829186D+00  0.130081D+01 -0.268293D+01  0.572091D-01 -0.140921D+01
      3  -0.167410D+01 -0.773133D+00 -0.281599D+00  0.125326D+00 -0.415871D+00
               321           322           323           324           325 
      1   0.168585D+01 -0.145043D+01  0.700288D+00  0.670086D+01  0.811917D+00
      2  -0.911071D+00 -0.151581D+01  0.250886D+01 -0.135685D+02 -0.143280D+01
      3   0.165239D+01 -0.216326D+01  0.138478D+01 -0.134732D+01 -0.278362D+00
               326           327           328           329           330 
      1   0.103343D+01 -0.947602D+00 -0.223563D+01 -0.977404D+01  0.820716D-01
      2   0.532994D+00  0.151640D+01  0.283997D+01 -0.523762D+00  0.939734D+00
      3   0.627613D+00 -0.630250D+00  0.940155D+00 -0.119458D+02  0.159898D+01
               331           332           333 
      1  -0.233535D+01 -0.224952D+01  0.119149D+00
      2   0.163271D+01  0.179166D+01 -0.739702D+00
      3  -0.193160D+00 -0.204744D+01 -0.339756D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.201433D+02  0.244298D+02 -0.203006D+02  0.302425D+02 -0.291405D+01
      2   0.129505D+02 -0.139203D+02  0.102216D+02 -0.177352D+02  0.304416D+01
      3   0.719281D+01 -0.105095D+02  0.100790D+02 -0.125073D+02 -0.130105D+00
      4   0.219475D+02 -0.625705D+01  0.375563D+01 -0.843105D+01 -0.107485D+02
      5  -0.198061D+02  0.510610D+01 -0.746878D+01  0.967889D+01 -0.177146D+02
      6   0.686979D+01 -0.629772D+00 -0.725492D+00 -0.432996D+01 -0.462841D+01
                 6             7             8             9            10 
      1   0.722879D+01 -0.153207D+02  0.477941D+01 -0.378797D+01 -0.198008D+02
      2  -0.447234D+01  0.703674D+01 -0.308603D+01  0.154142D+00  0.126488D+02
      3  -0.275645D+01  0.828398D+01 -0.169338D+01  0.363383D+01  0.715206D+01
      4  -0.153344D+02  0.423552D+01 -0.130830D+02 -0.331101D+01 -0.220461D+02
      5  -0.521785D+01 -0.737949D+01 -0.335534D+01  0.367514D+01  0.196630D+02
      6  -0.622456D+01  0.256786D+00 -0.545328D+01 -0.144798D+01  0.689306D+01
                11            12            13            14            15 
      1  -0.244487D+02  0.202327D+02 -0.302776D+02 -0.332437D+01  0.710635D+01
      2   0.138939D+02 -0.101436D+02  0.177148D+02  0.328597D+01 -0.436565D+01
      3   0.105548D+02 -0.100890D+02  0.125629D+02  0.384015D-01 -0.274070D+01
      4  -0.661307D+01  0.375729D+01 -0.883947D+01  0.106829D+02  0.154009D+02
      5   0.503012D+01 -0.739505D+01  0.958230D+01  0.177991D+02  0.523925D+01
      6   0.708825D+00  0.749167D+00  0.442989D+01 -0.453542D+01 -0.617929D+01
                16            17            18            19            20 
      1   0.152479D+02  0.466934D+01 -0.372875D+01  0.152893D+02  0.129935D+02
      2  -0.696701D+01 -0.298769D+01  0.143322D+00 -0.158898D+02 -0.921556D+01
      3  -0.828090D+01 -0.168165D+01  0.358542D+01  0.600507D+00 -0.377794D+01
      4   0.421863D+01  0.131393D+02  0.331040D+01  0.521902D+01 -0.245234D+00
      5  -0.732867D+01  0.336512D+01 -0.369257D+01 -0.109227D+02 -0.300931D+01
      6  -0.239367D+00 -0.543533D+01 -0.144930D+01 -0.741937D+01  0.129122D+01
                21            22            23            24            25 
      1  -0.121248D+02  0.609587D+01  0.225066D+01  0.178985D+01 -0.525243D+01
      2   0.111541D+02 -0.442743D+01 -0.831996D+01  0.415764D+00  0.558619D+01
      3   0.970658D+00 -0.166844D+01  0.606930D+01 -0.220561D+01 -0.333753D+00
      4  -0.101152D+01 -0.249065D+00 -0.114069D+02 -0.157845D+01 -0.113029D+01
      5   0.776761D+01 -0.191764D+01 -0.250482D+01  0.165194D+01  0.560598D+01
      6   0.135598D+01  0.139041D+00  0.451236D+01  0.365319D+01  0.286182D+00
                26            27            28            29            30 
      1  -0.866568D-01  0.991479D+01 -0.118412D+02 -0.100416D-01  0.180612D-01
      2  -0.605698D+00  0.415179D+01  0.227364D+01  0.475535D-02 -0.218550D-01
      3   0.692355D+00 -0.140666D+02  0.956758D+01  0.528630D-02  0.379379D-02
      4   0.495912D-01 -0.141004D+01 -0.253758D-02 -0.622550D+01 -0.569231D+01
      5  -0.239980D+00  0.666192D+01  0.111445D-01 -0.374111D+01 -0.243102D+01
      6   0.336750D+01  0.243317D+01 -0.330057D+01 -0.108945D-01  0.101439D-01
                31            32            33            34            35 
      1   0.532589D-02  0.239756D+01 -0.594304D+01  0.140512D-01 -0.858702D+01
      2  -0.977217D-02 -0.108679D+02  0.701260D+01 -0.177000D-01  0.927829D+01
      3   0.444628D-02  0.847031D+01 -0.106956D+01  0.364884D-02 -0.691268D+00
      4  -0.750039D+01  0.840769D-02 -0.335357D-01 -0.856432D+01 -0.232605D-01
      5  -0.351940D+01 -0.192131D-01  0.186513D-02  0.461694D+01  0.191968D-03
      6  -0.156479D-01  0.406518D+01 -0.256926D+01  0.100075D-01  0.356932D+01
                36            37            38            39            40 
      1   0.593118D+00 -0.654478D+01  0.145006D+01  0.983059D+01  0.683436D+00
      2   0.758356D+00  0.106857D+02 -0.367605D+01 -0.720026D+01  0.659004D+00
      3  -0.135147D+01 -0.414095D+01  0.222599D+01 -0.263033D+01 -0.134244D+01
      4  -0.332872D-02  0.107684D+02  0.628695D+01 -0.811967D+01  0.101982D+02
      5   0.860354D-02  0.254704D+01 -0.112737D+02  0.274427D+01 -0.106784D+02
      6  -0.672036D+00 -0.378567D+01 -0.510600D+01  0.642044D+01 -0.433546D+01
                41            42            43            44            45 
      1  -0.655848D+01 -0.498116D+01  0.832486D+01 -0.522951D+01  0.577294D+01
      2   0.513999D+01 -0.466499D+01 -0.421499D+01 -0.108383D+01  0.187974D+01
      3   0.141849D+01  0.964615D+01 -0.410987D+01  0.631333D+01 -0.765268D+01
      4   0.828234D+01 -0.961676D+01 -0.299327D+01 -0.627587D+01  0.235174D+01
      5  -0.466926D+01  0.329303D+01  0.199109D+01  0.902265D+00  0.112733D+01
      6  -0.329313D+01  0.130680D+01  0.415753D+01  0.166641D+00  0.603439D+01
                46            47            48            49            50 
      1  -0.744999D+01  0.159710D+01 -0.131360D+02  0.163112D+01 -0.115746D+01
      2   0.194418D+01 -0.209277D+01  0.170120D+02 -0.586886D+01  0.740137D+00
      3   0.550581D+01  0.495668D+00 -0.387600D+01  0.423774D+01  0.417328D+00
      4  -0.122861D+02 -0.801495D+01  0.806675D+01 -0.136761D+02 -0.972461D+01
      5  -0.336077D+01  0.126014D+02 -0.854607D+01  0.134667D+02  0.121016D+02
      6   0.167559D+01  0.144678D+02 -0.937470D+01  0.149188D+02  0.120158D+02
                51            52            53            54            55 
      1   0.609962D+01 -0.155542D+02  0.712944D+01 -0.864032D+01  0.331243D+01
      2   0.686344D+01  0.194830D+02  0.504256D+01  0.454996D+01 -0.303831D+01
      3  -0.129631D+02 -0.392882D+01 -0.121720D+02  0.409036D+01 -0.274116D+00
      4   0.198899D+02  0.127055D+02  0.241680D+02 -0.107456D+02  0.329447D+01
      5  -0.174717D+01 -0.130365D+02 -0.427447D+01  0.156313D+01  0.120788D+01
      6  -0.502803D+01 -0.118509D+02 -0.546560D+01  0.232461D+01  0.487073D+01
                56            57            58            59            60 
      1   0.391109D+01  0.103781D+02  0.189491D+01  0.161822D+02  0.328616D+01
      2  -0.594794D+01 -0.192864D+02 -0.346610D+00 -0.240954D+02 -0.139110D+02
      3   0.203685D+01  0.890828D+01 -0.154830D+01  0.791316D+01  0.106248D+02
      4  -0.727971D+01  0.427571D+00 -0.316217D+01 -0.105825D+02 -0.198184D+02
      5  -0.316845D+01 -0.902978D+00 -0.334759D+01 -0.869239D+01 -0.409159D+01
      6  -0.174134D+02  0.358318D+01 -0.168447D+02 -0.190812D+02 -0.112777D+02
                61            62            63            64            65 
      1   0.132065D+02  0.782321D+01  0.995607D+01  0.270472D+01 -0.522171D+01
      2  -0.211744D+02 -0.179598D+02 -0.133706D+02 -0.204792D+01  0.481399D+01
      3   0.796790D+01  0.101365D+02  0.341454D+01 -0.656800D+00  0.407722D+00
      4   0.199117D+01 -0.234323D+02  0.150420D+01  0.722487D+01  0.175923D+01
      5  -0.412579D+00 -0.342409D+01 -0.112543D+01  0.276776D+01 -0.269323D+01
      6   0.406438D+01 -0.163421D+02 -0.117445D+01 -0.641159D+01  0.802022D+01
                66            67            68            69            70 
      1  -0.109534D+01 -0.470053D+01 -0.104144D+02 -0.481626D+01 -0.208240D+01
      2   0.106746D+02  0.103313D+01  0.124070D+02  0.756222D+01  0.964569D+01
      3  -0.957927D+01  0.366740D+01 -0.199265D+01 -0.274596D+01 -0.756329D+01
      4  -0.226396D+01 -0.202171D+01  0.144648D+02  0.116627D+02 -0.263992D+01
      5  -0.289245D+01 -0.192775D+01  0.157886D+01  0.277311D+01 -0.178886D+01
      6  -0.171594D+00  0.882358D+01  0.117780D+02  0.618741D+01 -0.164146D+01
                71            72            73            74            75 
      1  -0.242429D+01  0.771247D+00  0.153885D+02 -0.129648D+02  0.120906D+02
      2   0.189999D+01  0.567526D+01 -0.159546D+02  0.921828D+01 -0.111658D+02
      3   0.524298D+00 -0.644651D+01  0.566069D+00  0.374647D+01 -0.924771D+00
      4   0.602404D+01 -0.118472D+01 -0.507448D+01 -0.411018D+00 -0.938200D+00
      5   0.159152D+01 -0.507815D+01  0.109597D+02 -0.300387D+01  0.780980D+01
      6   0.338857D+01 -0.398626D+01 -0.737072D+01 -0.134675D+01 -0.136428D+01
                76            77            78            79            80 
      1  -0.604786D+01  0.205586D+01  0.179936D+01  0.524844D+01 -0.113178D+00
      2   0.439896D+01 -0.817687D+01  0.338947D+00 -0.560458D+01 -0.651378D+00
      3   0.164890D+01  0.612102D+01 -0.213831D+01  0.356139D+00  0.764556D+00
      4  -0.379337D+00  0.114403D+02  0.159341D+01 -0.109730D+01 -0.396551D-01
      5  -0.188962D+01  0.248631D+01 -0.160249D+01  0.563083D+01  0.271130D+00
      6  -0.200566D+00  0.448135D+01  0.364199D+01 -0.291860D+00  0.335553D+01
                81            82            83            84            85 
      1   0.997136D+01 -0.642560D+01 -0.143821D+01 -0.979866D+01 -0.688109D+00
      2   0.411499D+01  0.105936D+02  0.373774D+01  0.722164D+01 -0.560112D+00
      3  -0.140863D+02 -0.416804D+01 -0.229953D+01  0.257702D+01  0.124822D+01
      4   0.145241D+01 -0.108839D+02  0.629420D+01 -0.823820D+01  0.102259D+02
      5  -0.664400D+01 -0.247884D+01 -0.113402D+02  0.272408D+01 -0.107383D+02
      6   0.246151D+01 -0.382220D+01  0.511404D+01 -0.644170D+01  0.432324D+01
                86            87            88            89            90 
      1  -0.649387D+01 -0.510925D+01 -0.834191D+01 -0.535825D+01  0.574419D+01
      2   0.515321D+01 -0.456871D+01  0.423900D+01 -0.100247D+01  0.183344D+01
      3   0.134066D+01  0.967796D+01  0.410291D+01  0.636072D+01 -0.757763D+01
      4  -0.824604D+01  0.957088D+01 -0.309612D+01  0.621093D+01 -0.231959D+01
      5   0.455296D+01 -0.330493D+01  0.196327D+01 -0.902930D+00 -0.113787D+01
      6  -0.326502D+01  0.124331D+01 -0.417695D+01  0.127817D+00  0.601615D+01
                91            92            93            94            95 
      1  -0.756875D+01 -0.161772D+01  0.130439D+02 -0.158169D+01 -0.127216D+01
      2   0.201571D+01  0.215304D+01 -0.170183D+02  0.582718D+01  0.762988D+00
      3   0.555304D+01 -0.535327D+00  0.397435D+01 -0.424549D+01  0.509173D+00
      4   0.123602D+02 -0.812253D+01  0.832192D+01 -0.137640D+02  0.981323D+01
      5   0.323531D+01  0.127693D+02 -0.855372D+01  0.136180D+02 -0.120701D+02
      6   0.181678D+01 -0.144985D+02  0.931799D+01 -0.149367D+02  0.118756D+02
                96            97            98            99           100 
      1   0.634177D+01  0.154433D+02  0.740533D+01 -0.867522D+01  0.337878D+01
      2   0.664203D+01 -0.194339D+02  0.476561D+01  0.462645D+01 -0.311404D+01
      3  -0.129838D+02  0.399058D+01 -0.121709D+02  0.404877D+01 -0.264742D+00
      4  -0.199116D+02  0.129536D+02 -0.241398D+02  0.106355D+02 -0.322510D+01
      5   0.173600D+01 -0.130395D+02  0.422341D+01 -0.159159D+01 -0.119726D+01
      6  -0.495898D+01  0.117618D+02 -0.537263D+01  0.233064D+01  0.469378D+01
               101           102           103           104           105 
      1  -0.384482D+01 -0.104096D+02 -0.187115D+01  0.159902D+02  0.304874D+01
      2   0.584569D+01  0.193844D+02  0.288721D+00 -0.237774D+02 -0.135818D+02
      3  -0.200086D+01 -0.897478D+01  0.158242D+01  0.778725D+01  0.105331D+02
      4  -0.740736D+01  0.193103D+00 -0.320768D+01  0.105600D+02  0.198933D+02
      5  -0.328804D+01 -0.933646D+00 -0.346471D+01  0.873148D+01  0.416172D+01
      6   0.175465D+02 -0.344991D+01  0.169431D+02 -0.188465D+02 -0.113277D+02
               106           107           108           109           110 
      1  -0.132728D+02  0.756411D+01  0.997611D+01  0.270477D+01  0.523892D+01
      2   0.212955D+02 -0.176164D+02 -0.134391D+02 -0.208782D+01 -0.481052D+01
      3  -0.802266D+01  0.100523D+02  0.346300D+01 -0.616950D+00 -0.428396D+00
      4   0.173387D+01  0.235695D+02 -0.131126D+01 -0.720506D+01  0.183194D+01
      5  -0.430757D+00  0.353694D+01  0.115027D+01 -0.274668D+01 -0.266313D+01
      6  -0.389893D+01 -0.164339D+02 -0.124737D+01 -0.634026D+01 -0.809877D+01
               111           112           113           114           115 
      1   0.112329D+01  0.476624D+01 -0.102195D+02 -0.471908D+01  0.211145D+01
      2  -0.107024D+02 -0.108608D+01  0.121889D+02  0.738768D+01 -0.966236D+01
      3   0.957912D+01 -0.368015D+01 -0.196944D+01 -0.266860D+01  0.755091D+01
      4  -0.215559D+01 -0.196700D+01 -0.145254D+02 -0.117010D+02 -0.256310D+01
      5  -0.285890D+01 -0.189346D+01 -0.162652D+01 -0.280951D+01 -0.176767D+01
      6   0.105834D+00 -0.888911D+01  0.116935D+02  0.620571D+01  0.159175D+01
               116           117           118           119           120 
      1  -0.237804D+01  0.766494D+00  0.313005D+02 -0.245649D+01  0.102721D+02
      2   0.179290D+01  0.572487D+01 -0.178381D+02  0.514406D+01 -0.729159D+01
      3   0.585131D+00 -0.649137D+01 -0.134624D+02 -0.268757D+01 -0.298053D+01
      4  -0.605700D+01  0.112841D+01  0.158768D+02  0.728005D+01  0.321482D+01
      5  -0.162269D+01  0.508013D+01  0.104819D+02 -0.170753D+01  0.934944D+01
      6   0.342236D+01 -0.394148D+01  0.501559D+01 -0.638654D+00  0.525196D+01
               121           122           123           124           125 
      1  -0.826841D+01  0.644216D+01 -0.407769D+01  0.168028D+02 -0.307786D+01
      2   0.736494D+01 -0.577852D+01  0.260632D+01 -0.124014D+02  0.444101D+01
      3   0.903478D+00 -0.663648D+00  0.147137D+01 -0.440145D+01 -0.136315D+01
      4   0.352100D+01 -0.328435D+00  0.238012D-01  0.718263D+01  0.203422D+01
      5  -0.331843D+01  0.222079D+01 -0.217679D+01  0.130481D+02  0.293987D+00
      6  -0.161769D+01  0.586156D+00  0.291418D+00  0.749639D+01  0.202665D+01
               126           127           128           129           130 
      1   0.899885D+01  0.140245D+02  0.661328D+01 -0.364781D+01  0.271955D+01
      2  -0.747426D+01 -0.387801D-01  0.439741D+01 -0.763447D+00  0.997892D+01
      3  -0.152459D+01 -0.139857D+02 -0.110107D+02  0.441126D+01 -0.126985D+02
      4   0.560190D+01  0.278377D+02  0.224795D+02 -0.120187D+02  0.248799D+02
      5   0.123100D+02 -0.109289D+02 -0.890959D+01  0.971129D+01 -0.861771D+01
      6   0.776113D+01 -0.106641D+02 -0.914153D+01  0.814787D+01 -0.114194D+02
               131           132           133           134           135 
      1  -0.626453D+01  0.135261D+01 -0.266741D+01  0.154744D+01 -0.618667D-01
      2   0.232826D+02 -0.705681D+01 -0.296265D+01 -0.810369D+01  0.202709D+01
      3  -0.170181D+02  0.570420D+01  0.563006D+01  0.655625D+01 -0.196523D+01
      4   0.315267D+02 -0.139844D+02 -0.188770D+02 -0.194188D+02  0.164792D+02
      5  -0.109544D+02  0.780800D+01  0.144764D+02  0.117531D+02 -0.146675D+02
      6  -0.165419D+02  0.123338D+02  0.139918D+02  0.162247D+02 -0.171342D+02
               136           137           138           139           140 
      1  -0.522544D+01  0.851545D+01 -0.372580D+01  0.495383D+01 -0.155574D+02
      2   0.791332D+01 -0.152705D+02  0.613917D+01 -0.819933D+01  0.258414D+02
      3  -0.268788D+01  0.675505D+01 -0.241337D+01  0.324550D+01 -0.102840D+02
      4  -0.146467D+02  0.799339D+01 -0.601601D+01  0.633797D+01 -0.489875D+01
      5   0.147447D+01 -0.375140D+00  0.148449D+01 -0.401838D+00  0.932399D+00
      6  -0.744063D+01  0.655321D+01 -0.741484D+01  0.443998D+01 -0.719955D+01
               141           142           143           144           145 
      1   0.460867D+01 -0.632066D+01  0.959842D+01 -0.830265D+01 -0.176943D+01
      2  -0.632855D+01  0.690681D+01 -0.137275D+02  0.910550D+01  0.806333D+01
      3   0.171987D+01 -0.586149D+00  0.412908D+01 -0.802854D+00 -0.629390D+01
      4   0.374197D+01 -0.874130D+01  0.575384D+01 -0.487809D+01  0.119775D+02
      5   0.383546D+00  0.183277D+01  0.504398D+00 -0.203202D+00  0.330344D+01
      6   0.814217D+01 -0.686033D+01  0.136175D+02 -0.153490D+02  0.547946D+01
               146           147           148           149           150 
      1  -0.240987D+01 -0.167864D+01 -0.362978D+01 -0.316567D+02 -0.109358D+02
      2   0.108851D+02  0.440775D+01  0.104950D+02  0.587720D+02  0.178911D+02
      3  -0.847525D+01 -0.272911D+01 -0.686520D+01 -0.271154D+02 -0.695530D+01
      4   0.183322D+02  0.630756D+01  0.130105D+02  0.249008D+02  0.903122D+01
      5   0.507566D+01  0.440709D+01  0.309139D+01  0.860242D+01  0.497472D+01
      6   0.762194D+01  0.453254D+01  0.684286D+01  0.256346D+02  0.165872D+02
               151           152           153           154           155 
      1  -0.282992D+01 -0.166986D+02 -0.120793D+02 -0.532604D+01 -0.854792D+01
      2   0.569163D+01  0.253905D+02  0.146960D+02  0.801708D+01  0.152969D+02
      3  -0.286171D+01 -0.869193D+01 -0.261670D+01 -0.269104D+01 -0.674902D+01
      4   0.678358D+01  0.145318D+02  0.850487D+01  0.145151D+02  0.799627D+01
      5   0.430610D+01  0.770119D+01  0.676307D+01 -0.141821D+01 -0.358936D+00
      6   0.558443D+01  0.248877D+02  0.195178D+02 -0.736125D+01 -0.657458D+01
               156           157           158           159           160 
      1   0.376487D+01 -0.496840D+01 -0.157292D+02  0.464106D+01  0.636614D+01
      2  -0.619525D+01  0.819302D+01  0.261226D+02 -0.637866D+01 -0.696445D+01
      3   0.243038D+01 -0.322462D+01 -0.103934D+02  0.173760D+01  0.598302D+00
      4  -0.593413D+01  0.636545D+01  0.480904D+01 -0.373115D+01 -0.863821D+01
      5   0.144713D+01 -0.390907D+00 -0.893868D+00 -0.413741D+00  0.179548D+01
      6   0.735791D+01 -0.445537D+01 -0.723410D+01  0.818905D+01  0.677732D+01
               161           162           163           164           165 
      1   0.966889D+01 -0.833661D+01 -0.169324D+01  0.239400D+01  0.168205D+01
      2  -0.138261D+02  0.918363D+01  0.803674D+01 -0.109392D+02 -0.444848D+01
      3   0.415720D+01 -0.847021D+00 -0.634351D+01  0.854522D+01  0.276643D+01
      4  -0.571502D+01  0.477949D+01 -0.121637D+02  0.184403D+02  0.640604D+01
      5  -0.552122D+00  0.267171D+00 -0.338442D+01  0.515370D+01  0.447364D+01
      6   0.136596D+02 -0.152928D+02  0.556115D+01 -0.772785D+01 -0.462667D+01
               166           167           168           169           170 
      1   0.363962D+01 -0.313257D+02 -0.108638D+02  0.284850D+01 -0.165890D+02
      2  -0.105640D+02  0.582446D+02  0.177913D+02 -0.574659D+01  0.252476D+02
      3   0.692441D+01 -0.269189D+02 -0.692758D+01  0.289809D+01 -0.865860D+01
      4   0.131006D+02 -0.250705D+02 -0.913799D+01  0.690868D+01 -0.147067D+02
      5   0.315288D+01 -0.868599D+01 -0.503923D+01  0.438279D+01 -0.781452D+01
      6  -0.693297D+01  0.255684D+02  0.165867D+02 -0.570602D+01  0.248973D+02
               171           172           173           174           175 
      1  -0.120444D+02  0.314192D+02  0.249996D+01 -0.102569D+02  0.832252D+01
      2   0.146334D+02 -0.179427D+02 -0.513726D+01  0.729411D+01 -0.737006D+01
      3  -0.258905D+01 -0.134765D+02  0.263730D+01  0.296279D+01 -0.952454D+00
      4  -0.865255D+01 -0.157258D+02  0.724959D+01  0.312502D+01  0.351763D+01
      5  -0.688347D+01 -0.104599D+02 -0.174761D+01  0.933896D+01 -0.334827D+01
      6   0.195951D+02  0.495314D+01  0.652664D+00 -0.520207D+01  0.162388D+01
               176           177           178           179           180 
      1   0.656825D+01 -0.413700D+01 -0.167884D+02 -0.318009D+01  0.903201D+01
      2  -0.593914D+01  0.266297D+01  0.124081D+02  0.453584D+01 -0.752853D+01
      3  -0.629116D+00  0.147403D+01  0.438034D+01 -0.135575D+01 -0.150347D+01
      4   0.543908D+00 -0.734378D-01  0.703209D+01 -0.208544D+01 -0.547425D+01
      5  -0.231546D+01  0.225340D+01  0.130358D+02 -0.178295D+00 -0.123243D+02
      6   0.592990D+00  0.258826D+00 -0.742266D+01  0.197114D+01  0.769108D+01
               181           182           183           184           185 
      1   0.142702D+02 -0.670405D+01  0.372560D+01 -0.282642D+01 -0.607058D+01
      2  -0.171750D+00 -0.434812D+01  0.715258D+00 -0.990829D+01  0.230462D+02
      3  -0.140984D+02  0.110522D+02 -0.444086D+01  0.127347D+02 -0.169757D+02
      4  -0.279868D+02  0.225315D+02 -0.120658D+02  0.249531D+02 -0.315084D+02
      5   0.110213D+02 -0.895082D+01  0.975605D+01 -0.866280D+01  0.109428D+02
      6  -0.106948D+02  0.913492D+01 -0.814729D+01  0.114111D+02 -0.164216D+02
               186           187           188           189           190 
      1   0.125394D+01  0.278872D+01  0.140575D+01  0.546145D-01  0.196290D+02
      2  -0.694881D+01  0.286790D+01 -0.794425D+01  0.191881D+01 -0.159677D+02
      3   0.569487D+01 -0.565663D+01  0.653849D+01 -0.197342D+01 -0.366125D+01
      4   0.139681D+02 -0.189349D+02  0.193708D+02 -0.164654D+02  0.141225D+01
      5  -0.781218D+01  0.145447D+02 -0.117436D+02  0.146995D+02  0.149774D+02
      6   0.122678D+02 -0.139793D+02  0.161185D+02 -0.170514D+02  0.812873D+00
               191           192           193           194           195 
      1   0.505533D+01  0.726576D+01  0.767830D+01  0.552595D+01  0.354648D+01
      2  -0.674841D+01 -0.878963D+01 -0.851390D+01 -0.641718D+01 -0.555940D+01
      3   0.169308D+01  0.152387D+01  0.835603D+00  0.891240D+00  0.201292D+01
      4   0.579591D+01  0.176392D+01  0.999684D+00  0.688079D+01  0.797270D+00
      5   0.455565D+01  0.998143D+01  0.106192D+02  0.319039D+01  0.698274D+01
      6   0.148099D+01 -0.449975D+00  0.927300D+00  0.291880D+01  0.221832D+00
               196           197           198           199           200 
      1   0.324538D+01  0.120746D+01  0.205713D+01 -0.269336D+01 -0.221861D+01
      2  -0.656465D+01 -0.188581D+01 -0.778745D+01 -0.146635D+01  0.133258D+01
      3   0.331927D+01  0.678343D+00  0.573031D+01  0.415971D+01  0.886032D+00
      4   0.303086D+01  0.523721D+00  0.195874D+01  0.602896D+01 -0.281083D+01
      5   0.749770D+01  0.340731D+01  0.859064D+01 -0.239932D+01  0.212674D+01
      6   0.420549D+00  0.125625D+01 -0.525488D+00  0.306049D-02 -0.311314D+01
               201           202           203           204           205 
      1   0.675212D+01 -0.433273D+00 -0.490231D+01  0.602189D+01  0.258123D+01
      2   0.958234D+00 -0.418922D+00  0.196144D+01 -0.948540D+00 -0.137598D+01
      3  -0.771035D+01  0.852195D+00  0.294088D+01 -0.507335D+01 -0.120526D+01
      4   0.409885D+00  0.125539D+01 -0.163149D+01  0.500405D+00 -0.292394D+01
      5  -0.276041D+00  0.352718D+00  0.914580D+00 -0.164636D+01  0.413364D+01
      6   0.550740D+01 -0.529169D+00 -0.582167D+01  0.827262D+01 -0.288899D+00
               206           207           208           209           210 
      1   0.522145D+01 -0.173097D+02 -0.425048D+00 -0.692979D+01 -0.421227D+01
      2  -0.133246D+00 -0.108488D+02  0.850495D-01  0.896520D+01  0.183320D+01
      3  -0.508821D+01  0.281585D+02  0.339998D+00 -0.203541D+01  0.237907D+01
      4   0.282652D+01  0.571865D+00  0.170737D+02  0.700938D+01  0.770044D+01
      5  -0.213068D+01  0.106896D+02  0.880067D+01  0.536362D+01  0.535470D+01
      6   0.698666D+01 -0.165877D+02  0.912677D+01  0.105471D+02  0.963729D+01
               211           212           213           214           215 
      1  -0.184972D+01 -0.293673D+01 -0.161489D+01 -0.165010D+01 -0.119652D+01
      2   0.275238D+01  0.646939D+01  0.121148D+01 -0.657915D+00 -0.144309D+01
      3  -0.902659D+00 -0.353266D+01  0.403417D+00  0.230802D+01  0.263961D+01
      4   0.732040D+01  0.764534D+01  0.468666D+01  0.422353D+01  0.404271D+01
      5   0.295775D+01  0.297100D+01  0.229782D+01  0.444487D+01  0.212710D+01
      6   0.514699D+01  0.470564D+01  0.495355D+01  0.534213D+01  0.462587D+01
               216           217           218           219           220 
      1  -0.372553D+01 -0.486022D+00  0.307790D+01  0.225973D+01  0.227025D+00
      2  -0.185716D+01 -0.344955D+01 -0.400576D+01  0.584625D+01 -0.129002D+01
      3   0.558270D+01  0.393558D+01  0.927856D+00 -0.810598D+01  0.106299D+01
      4   0.528738D+01 -0.347626D+01  0.407820D+01  0.427622D+01  0.439037D+00
      5   0.358209D+01 -0.474113D+01  0.175471D+01  0.791848D+01  0.357121D+00
      6   0.801399D+01  0.419726D+01 -0.293777D+01 -0.658725D+01 -0.564636D-01
               221           222           223           224           225 
      1   0.288755D+01  0.157021D+01  0.166663D+01 -0.449240D+01 -0.113048D+02
      2  -0.595132D+01  0.218596D+01  0.348129D+01  0.284700D+01 -0.154980D+02
      3   0.306378D+01 -0.375617D+01 -0.514792D+01  0.164540D+01  0.268028D+02
      4   0.195731D+01  0.729138D+00  0.342275D+01 -0.175166D+01 -0.266721D+01
      5  -0.131067D+01  0.888775D+00  0.539850D+01 -0.105666D+01 -0.940549D+01
      6  -0.210339D+01  0.501456D+00 -0.309314D+01  0.602042D+01  0.178120D+02
               226           227           228           229           230 
      1  -0.961246D+00 -0.420834D+00 -0.140725D+01 -0.540705D+01 -0.111516D+02
      2   0.439760D+01 -0.223661D+01  0.174640D+01  0.135352D+01  0.203211D+02
      3  -0.343635D+01  0.265744D+01 -0.339151D+00  0.405353D+01 -0.916949D+01
      4  -0.297860D+01  0.509647D+01  0.268565D+00  0.802463D+01 -0.202554D+02
      5  -0.165548D+01 -0.271196D+00 -0.242261D+00 -0.461435D+01  0.263449D+01
      6   0.369719D+00  0.418288D+00 -0.193113D+00  0.351468D+01 -0.116889D+02
               231           232           233           234           235 
      1   0.149773D+01 -0.524067D+01  0.218458D+01 -0.404602D+01 -0.291361D+01
      2  -0.147616D+00  0.361753D+01  0.764296D+00  0.235502D+01  0.411387D-01
      3  -0.135012D+01  0.162314D+01 -0.294887D+01  0.169100D+01  0.287247D+01
      4   0.398314D+01  0.175482D+01 -0.199787D+01 -0.191640D+01  0.105153D+01
      5  -0.440643D+01 -0.142681D+01 -0.179843D+01 -0.986177D-01  0.404724D-01
      6   0.512721D+01  0.102956D+00  0.259390D+01 -0.182968D+01  0.134418D+01
               236           237           238           239           240 
      1   0.100420D+01  0.326802D+01  0.364321D+01 -0.344217D+01  0.118363D+01
      2  -0.162732D+01  0.937123D+00 -0.366550D+01  0.633135D+00 -0.319555D+01
      3   0.623125D+00 -0.420514D+01  0.222878D-01  0.280904D+01  0.201191D+01
      4  -0.600026D+00  0.195503D+00  0.660100D+00 -0.860897D+00  0.224393D+01
      5   0.129160D+01  0.175484D+01  0.188943D+01  0.149456D+01  0.158554D+01
      6  -0.691217D+00  0.168566D+01  0.274769D-01 -0.190678D+01  0.442268D+01
               241           242           243           244           245 
      1   0.381041D+01  0.356643D+01 -0.196107D+02 -0.285129D+00  0.694623D+01
      2  -0.545217D+01  0.719945D+00 -0.153681D+02 -0.582860D-01 -0.899819D+01
      3   0.164175D+01 -0.428637D+01  0.349788D+02  0.343415D+00  0.205196D+01
      4  -0.154263D+01  0.330347D+01 -0.242050D+01 -0.171253D+02  0.704933D+01
      5   0.652715D+01 -0.360818D+01  0.204680D+02 -0.889139D+01  0.536452D+01
      6  -0.134034D+01  0.513610D+01 -0.957853D+01  0.915371D+01 -0.105344D+02
               246           247           248           249           250 
      1   0.415899D+01  0.184575D+01 -0.283046D+01 -0.157964D+01  0.161895D+01
      2  -0.177559D+01 -0.276544D+01  0.634662D+01  0.117933D+01  0.700323D+00
      3  -0.238340D+01  0.919687D+00 -0.351616D+01  0.400316D+00 -0.231927D+01
      4   0.775283D+01  0.730534D+01 -0.762927D+01 -0.467443D+01  0.424969D+01
      5   0.541055D+01  0.294050D+01 -0.296878D+01 -0.229243D+01  0.448032D+01
      6  -0.964735D+01 -0.513313D+01  0.463574D+01  0.492330D+01 -0.534685D+01
               251           252           253           254           255 
      1  -0.118298D+01 -0.370119D+01 -0.494389D+00 -0.312535D+01 -0.229998D+01
      2  -0.145877D+01 -0.188801D+01 -0.345132D+01  0.404452D+01 -0.583259D+01
      3   0.264175D+01  0.558921D+01  0.394570D+01 -0.919168D+00  0.813257D+01
      4  -0.403180D+01 -0.529844D+01  0.348452D+01  0.407935D+01  0.431004D+01
      5  -0.212629D+01 -0.361465D+01  0.473619D+01  0.176709D+01  0.791800D+01
      6   0.462122D+01  0.802485D+01  0.422027D+01  0.297665D+01  0.664588D+01
               256           257           258           259           260 
      1  -0.247269D+00  0.288990D+01  0.155354D+01 -0.168014D+01 -0.452437D+01
      2   0.130746D+01 -0.593934D+01  0.214734D+01 -0.347741D+01  0.284010D+01
      3  -0.106019D+01  0.304944D+01 -0.370088D+01  0.515755D+01  0.168427D+01
      4   0.461566D+00 -0.189790D+01 -0.711880D+00  0.343792D+01  0.174674D+01
      5   0.370093D+00  0.132810D+01 -0.857593D+00  0.539431D+01  0.106595D+01
      6   0.850633D-01 -0.206818D+01  0.538184D+00  0.311057D+01  0.605949D+01
               261           262           263           264           265 
      1  -0.113226D+02  0.197368D+02 -0.504710D+01 -0.728478D+01 -0.764202D+01
      2  -0.154486D+02 -0.160221D+02  0.670716D+01  0.879959D+01  0.843887D+01
      3   0.267712D+02 -0.371469D+01 -0.166006D+01 -0.151481D+01 -0.796849D+00
      4   0.270856D+01 -0.134713D+01  0.587372D+01  0.167852D+01  0.103043D+01
      5   0.936606D+01 -0.149824D+02  0.446650D+01  0.997232D+01  0.105292D+02
      6   0.178836D+02  0.776971D+00 -0.146451D+01  0.470931D+00 -0.893329D+00
               266           267           268           269           270 
      1   0.549992D+01  0.353892D+01 -0.326222D+01  0.121505D+01  0.206851D+01
      2  -0.624543D+01 -0.556517D+01  0.656885D+01 -0.192247D+01 -0.771619D+01
      3   0.745508D+00  0.202625D+01 -0.330663D+01  0.707421D+00  0.564768D+01
      4  -0.709997D+01 -0.634276D+00  0.298651D+01 -0.351689D+00 -0.199091D+01
      5  -0.297486D+01 -0.698550D+01  0.748287D+01 -0.346052D+01 -0.848030D+01
      6   0.285658D+01  0.208295D+00 -0.413814D+00  0.125493D+01 -0.549281D+00
               271           272           273           274           275 
      1  -0.264793D+01  0.221733D+01 -0.674752D+01  0.417845D+00 -0.487399D+01
      2  -0.151522D+01 -0.135620D+01 -0.959558D+00  0.417272D+00  0.193480D+01
      3   0.416315D+01 -0.861132D+00  0.770708D+01 -0.835117D+00  0.293919D+01
      4  -0.601241D+01 -0.282760D+01  0.398717D+00  0.121649D+01  0.161392D+01
      5   0.237689D+01  0.213240D+01 -0.262208D+00  0.369680D+00 -0.898569D+00
      6   0.133681D-01  0.310984D+01 -0.549643D+01  0.534799D+00 -0.577143D+01
               276           277           278           279           280 
      1   0.596577D+01 -0.256164D+01  0.519201D+01 -0.173027D+02  0.601849D+01
      2  -0.946110D+00  0.137297D+01 -0.146653D+00 -0.109238D+02 -0.317723D+01
      3  -0.501966D+01  0.118867D+01 -0.504536D+01  0.282265D+02 -0.284127D+01
      4  -0.492824D+00 -0.293997D+01 -0.283272D+01 -0.588660D+00  0.439273D+01
      5   0.161976D+01  0.414699D+01  0.212526D+01 -0.107114D+02  0.771367D+01
      6   0.821987D+01  0.307952D+00  0.696417D+01 -0.165903D+02  0.207253D+01
               281           282           283           284           285 
      1   0.343496D+01  0.653365D+01  0.756355D+01 -0.547502D+00 -0.207056D+01
      2  -0.123335D+01 -0.355764D+01 -0.377584D+01  0.359681D+01 -0.347827D+00
      3  -0.220161D+01 -0.297601D+01 -0.378771D+01 -0.304931D+01  0.241839D+01
      4   0.514195D+01  0.186754D+01  0.114175D+02  0.240104D+02  0.120443D+02
      5   0.246734D+01  0.487162D+01  0.618014D+01  0.127801D+02  0.142161D+02
      6   0.872115D+00  0.739111D+00  0.422745D+01  0.117346D+02  0.810268D+01
               286           287           288           289           290 
      1   0.805745D+01 -0.193240D+01 -0.888330D+00  0.637133D+02 -0.159580D+02
      2  -0.591621D+01 -0.876146D+00 -0.363445D+01 -0.349182D+02  0.769599D+01
      3  -0.214124D+01  0.280854D+01  0.452278D+01 -0.287951D+02  0.826197D+01
      4   0.350790D+01  0.883524D+01  0.882464D+01 -0.208291D+02  0.129791D+02
      5   0.838431D+01  0.924842D+01  0.133098D+02  0.264728D+02 -0.700735D+01
      6   0.221113D+01  0.733826D+01  0.680683D+01 -0.452763D+01  0.293997D+01
               291           292           293           294           295 
      1   0.163231D+02 -0.253473D+02  0.124746D+02 -0.670889D+01  0.144144D+02
      2  -0.105718D+02  0.126322D+02 -0.514996D+01  0.455765D+01 -0.112736D+02
      3  -0.575133D+01  0.127151D+02 -0.732467D+01  0.215124D+01 -0.314083D+01
      4  -0.600344D+01  0.197759D+02 -0.134736D+02  0.868538D+01 -0.566295D+01
      5   0.165835D+02 -0.120079D+02  0.964911D+01 -0.764804D+01  0.204710D+02
      6  -0.188553D+01  0.536632D+01 -0.355935D+01  0.426610D+01 -0.304007D+01
               296           297           298           299           300 
      1  -0.352830D+01  0.115339D+02  0.634765D+02  0.160929D+02 -0.162059D+02
      2   0.319076D+01 -0.936722D+01 -0.346816D+02 -0.771853D+01  0.104614D+02
      3   0.337532D+00 -0.216673D+01 -0.287949D+02 -0.837439D+01  0.574449D+01
      4   0.576641D+01 -0.564275D+01  0.211277D+02  0.131351D+02 -0.605410D+01
      5  -0.600266D+01  0.128629D+02 -0.262844D+02 -0.703700D+01  0.164800D+02
      6   0.365287D+01 -0.275775D+01 -0.457867D+01 -0.296447D+01  0.192178D+01
               301           302           303           304           305 
      1   0.254601D+02  0.125707D+02 -0.669264D+01 -0.143055D+02 -0.352682D+01
      2  -0.126125D+02 -0.512762D+01  0.451832D+01  0.111626D+02  0.317749D+01
      3  -0.128476D+02 -0.744310D+01  0.217432D+01  0.314295D+01  0.349334D+00
      4   0.199937D+02  0.136955D+02 -0.873307D+01 -0.572204D+01 -0.580359D+01
      5  -0.120166D+02 -0.968466D+01  0.767381D+01  0.203707D+02  0.605427D+01
      6  -0.540189D+01 -0.361550D+01  0.428572D+01  0.309701D+01  0.367925D+01
               306           307           308           309           310 
      1   0.114682D+02  0.609647D+01 -0.351639D+01 -0.652881D+01 -0.772106D+01
      2  -0.928214D+01 -0.318292D+01  0.130217D+01  0.356239D+01  0.390409D+01
      3  -0.218603D+01 -0.291355D+01  0.221422D+01  0.296642D+01  0.381697D+01
      4   0.571483D+01 -0.444080D+01  0.524616D+01  0.189189D+01  0.115212D+02
      5  -0.127671D+02 -0.773365D+01  0.253112D+01  0.493519D+01  0.628037D+01
      6  -0.279460D+01  0.208022D+01 -0.907020D+00 -0.764585D+00 -0.425152D+01
               311           312           313           314           315 
      1  -0.366679D+00 -0.194212D+01 -0.807414D+01 -0.185835D+01 -0.790679D+00
      2   0.344394D+01 -0.448263D+00  0.593951D+01 -0.933072D+00 -0.369890D+01
      3  -0.307726D+01  0.239039D+01  0.213464D+01  0.279143D+01  0.448958D+01
      4  -0.240094D+02 -0.120548D+02  0.350913D+01 -0.883553D+01 -0.882415D+01
      5  -0.127919D+02 -0.142466D+02  0.844065D+01 -0.925549D+01 -0.133354D+02
      6   0.116546D+02  0.803038D+01 -0.222379D+01  0.728551D+01  0.674474D+01
               316           317           318           319           320 
      1  -0.287245D+01 -0.100940D+01 -0.325531D+01 -0.366098D+01 -0.345398D+01
      2   0.740505D-02  0.162005D+01 -0.916730D+00  0.368598D+01  0.648477D+00
      3   0.286505D+01 -0.610647D+00  0.417204D+01 -0.250016D-01  0.280550D+01
      4  -0.106407D+01 -0.616920D+00  0.197056D+00  0.625069D+00  0.831281D+00
      5  -0.669454D-01  0.129390D+01  0.178218D+01  0.191074D+01 -0.147788D+01
      6   0.135180D+01  0.696864D+00 -0.168035D+01 -0.111324D-01 -0.188368D+01
               321           322           323           324           325 
      1   0.115249D+01 -0.379840D+01  0.353402D+01 -0.196011D+02 -0.101260D+01
      2  -0.323283D+01  0.545529D+01  0.705496D+00 -0.153920D+02  0.439898D+01
      3   0.208033D+01 -0.165689D+01 -0.423951D+01  0.349931D+02 -0.338638D+01
      4  -0.223084D+01 -0.156051D+01 -0.329957D+01  0.238591D+01  0.292681D+01
      5  -0.163648D+01  0.653494D+01  0.359137D+01 -0.204952D+02  0.166543D+01
      6   0.439747D+01  0.134850D+01  0.513062D+01 -0.958381D+01  0.365729D+00
               326           327           328           329           330 
      1   0.417527D+00  0.138977D+01  0.537808D+01 -0.112820D+02  0.156891D+01
      2   0.222408D+01 -0.172679D+01 -0.132780D+01  0.204189D+02 -0.235210D+00
      3  -0.264161D+01  0.337018D+00 -0.405028D+01 -0.913694D+01 -0.133370D+01
      4   0.498743D+01  0.277778D+00  0.795343D+01  0.202307D+02 -0.399539D+01
      5  -0.252275D+00 -0.250812D+00 -0.459145D+01 -0.265699D+01  0.439375D+01
      6  -0.353862D+00  0.182062D+00 -0.347347D+01 -0.117911D+02  0.516140D+01
               331           332           333 
      1   0.520801D+01  0.221688D+01 -0.406098D+01
      2  -0.358951D+01  0.719334D+00  0.234967D+01
      3  -0.161850D+01 -0.293622D+01  0.171130D+01
      4   0.175946D+01  0.198431D+01  0.190485D+01
      5  -0.141486D+01  0.178391D+01  0.787652D-01
      6  -0.104538D+00  0.261172D+01 -0.185508D+01
 Leave Link  716 at Sat Jul 24 18:00:16 2021, MaxMem= 16106127360 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152912D+03 -0.160078D-03 -0.217137D-02
      2  -0.160078D-03  0.151515D+03  0.530054D-01
      3  -0.217137D-02  0.530054D-01  0.120963D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.266531D+00 -0.433053D-01  0.106062D-02
      2  -0.211905D-01  0.408763D+01 -0.186757D+01
      3  -0.199481D-01 -0.152482D+01 -0.520024D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.846844D+02 -0.496464D+00  0.166620D-01
      2   0.906107D+02  0.527620D+00  0.134242D-01
      3  -0.592637D+01 -0.311561D-01 -0.300862D-01
      4  -0.517680D+00  0.930618D+02 -0.467739D+01
      5  -0.642541D-01  0.145703D+01 -0.880980D+01
      6  -0.920543D+01 -0.699515D-01 -0.512129D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.378194D+01 -0.381910D+01  0.312620D+01 -0.559817D+01  0.126096D+01
      2  -0.381910D+01  0.812016D+00 -0.452606D+00  0.126096D+01  0.274492D+01
      3   0.312620D+01 -0.452606D+00  0.796715D+00 -0.124580D+01  0.281416D+01
                 6             7             8             9            10 
      1  -0.124580D+01  0.252269D+01 -0.736969D+00  0.102883D+01  0.372909D+01
      2   0.281416D+01 -0.736969D+00  0.219202D+01  0.685921D+00  0.382085D+01
      3   0.600438D+00  0.102883D+01  0.685921D+00 -0.565877D+00 -0.311432D+01
                11            12            13            14            15 
      1   0.382085D+01 -0.311432D+01  0.560669D+01  0.132258D+01 -0.123677D+01
      2   0.865817D+00 -0.442923D+00  0.132258D+01 -0.273133D+01 -0.281858D+01
      3  -0.442923D+00  0.784635D+00 -0.123677D+01 -0.281858D+01 -0.597195D+00
                16            17            18            19            20 
      1  -0.251227D+01 -0.727304D+00  0.102178D+01 -0.825781D+01 -0.449260D+01
      2  -0.727304D+00 -0.219549D+01 -0.681360D+00 -0.449260D+01 -0.145606D+01
      3   0.102178D+01 -0.681360D+00  0.566973D+00  0.479451D+01  0.128311D+01
                21            22            23            24            25 
      1   0.479451D+01 -0.180878D+01 -0.618464D+00  0.227590D+00  0.310595D+01
      2   0.128311D+01 -0.618464D+00  0.143256D+01  0.137191D+01  0.110392D+01
      3  -0.204774D+01  0.227590D+00  0.137191D+01 -0.750719D+00 -0.187253D+01
                26            27            28            29            30 
      1   0.110392D+01 -0.187253D+01  0.145137D+01  0.463363D-02  0.969565D-02
      2   0.182185D+01 -0.993195D+00  0.463363D-02 -0.157152D+01 -0.161620D+01
      3  -0.993195D+00 -0.150373D+01  0.969565D-02 -0.161620D+01  0.197523D+00
                31            32            33            34            35 
      1   0.364054D-02 -0.158199D+01  0.181162D+01  0.153084D-01 -0.133949D+00
      2  -0.158199D+01 -0.869134D-02  0.108984D-02 -0.133949D+00  0.148510D-01
      3   0.181162D+01  0.108984D-02  0.521623D-03  0.166315D+00  0.682033D-03
                36            37            38            39            40 
      1   0.166315D+00  0.491178D+01  0.365384D+01 -0.180413D+01  0.564189D+01
      2   0.682033D-03  0.365384D+01  0.136707D+01 -0.291135D+01  0.312872D+01
      3   0.428264D-02 -0.180413D+01 -0.291135D+01  0.185656D+01 -0.351991D+01
                41            42            43            44            45 
      1   0.312872D+01 -0.351991D+01 -0.149880D+01 -0.190195D+01  0.233342D+01
      2   0.285078D+01 -0.250101D+01 -0.190195D+01 -0.147284D+01 -0.125188D+00
      3  -0.250101D+01  0.518776D+00  0.233342D+01 -0.125188D+00  0.527574D+00
                46            47            48            49            50 
      1  -0.269531D+01 -0.986106D+00 -0.313547D+00 -0.197582D+01 -0.198235D+01
      2  -0.986106D+00 -0.876523D+00  0.308889D+01 -0.198235D+01 -0.112047D+01
      3  -0.313547D+00  0.308889D+01 -0.180579D+01  0.310657D+01  0.247540D+01
                51            52            53            54            55 
      1   0.310657D+01  0.145396D+00  0.438952D+01 -0.275590D+01  0.596639D+00
      2   0.247540D+01  0.438952D+01  0.315432D+01 -0.790306D+00 -0.712359D+00
      3  -0.179598D+00 -0.275590D+01 -0.790306D+00  0.332305D+00  0.994040D+00
                56            57            58            59            60 
      1  -0.712359D+00  0.994040D+00 -0.294923D+00 -0.264301D+00 -0.273706D+01
      2  -0.162155D+01 -0.268614D+01 -0.264301D+00 -0.475765D+01 -0.311130D+01
      3  -0.268614D+01  0.862849D+00 -0.273706D+01 -0.311130D+01 -0.144162D+01
                61            62            63            64            65 
      1   0.154590D+01 -0.338210D+01  0.822324D+00  0.119115D+01  0.218422D+00
      2  -0.338210D+01 -0.461742D+01 -0.250027D+01  0.218422D+00  0.318766D+01
      3   0.822324D+00 -0.250027D+01 -0.181068D+00 -0.583234D+00  0.215659D+01
                66            67            68            69            70 
      1  -0.583234D+00 -0.301412D+00  0.604105D+00  0.157960D+01 -0.323076D+00
      2   0.215659D+01  0.604105D+00  0.104166D+02  0.461636D+01  0.989292D+00
      3  -0.558481D+00  0.157960D+01  0.461636D+01  0.162546D+01 -0.128235D+01
                71            72            73            74            75 
      1   0.989292D+00 -0.128235D+01 -0.829514D+01  0.447982D+01 -0.480292D+01
      2   0.307094D+01  0.183931D+01  0.447982D+01 -0.141920D+01  0.128160D+01
      3   0.183931D+01 -0.538833D+00 -0.480292D+01  0.128160D+01 -0.206539D+01
                76            77            78            79            80 
      1   0.178670D+01 -0.589860D+00  0.219649D+00 -0.312239D+01  0.111364D+01
      2  -0.589860D+00 -0.143835D+01 -0.137579D+01  0.111364D+01 -0.182757D+01
      3   0.219649D+00 -0.137579D+01  0.734634D+00 -0.189162D+01  0.981565D+00
                81            82            83            84            85 
      1  -0.189162D+01  0.494957D+01 -0.364910D+01  0.181863D+01 -0.564115D+01
      2   0.981565D+00 -0.364910D+01  0.136133D+01 -0.292652D+01  0.311926D+01
      3   0.150075D+01  0.181863D+01 -0.292652D+01  0.185240D+01 -0.353672D+01
                86            87            88            89            90 
      1   0.311926D+01 -0.353672D+01  0.149772D+01 -0.191470D+01  0.232983D+01
      2  -0.282428D+01  0.246871D+01 -0.191470D+01  0.144473D+01  0.136760D+00
      3   0.246871D+01 -0.511244D+00  0.232983D+01  0.136760D+00 -0.518692D+00
                91            92            93            94            95 
      1  -0.271557D+01  0.989071D+00  0.285228D+00  0.198144D+01 -0.199387D+01
      2   0.989071D+00 -0.905231D+00  0.311347D+01 -0.199387D+01  0.113643D+01
      3   0.285228D+00  0.311347D+01 -0.179874D+01  0.312726D+01 -0.245729D+01
                96            97            98            99           100 
      1   0.312726D+01 -0.176265D+00  0.440630D+01 -0.274657D+01  0.590443D+00
      2  -0.245729D+01  0.440630D+01 -0.312346D+01  0.776708D+00  0.727248D+00
      3   0.170954D+00 -0.274657D+01  0.776708D+00 -0.339117D+00 -0.965270D+00
               101           102           103           104           105 
      1   0.727248D+00 -0.965270D+00  0.298211D+00 -0.262616D+00 -0.275526D+01
      2  -0.162445D+01 -0.270834D+01 -0.262616D+00  0.471279D+01  0.307778D+01
      3  -0.270834D+01  0.844250D+00 -0.275526D+01  0.307778D+01  0.145117D+01
               106           107           108           109           110 
      1  -0.151453D+01 -0.341011D+01  0.797631D+00  0.119536D+01 -0.226920D+00
      2  -0.341011D+01  0.458532D+01  0.251772D+01 -0.226920D+00  0.322137D+01
      3   0.797631D+00  0.251772D+01  0.191128D+00  0.564696D+00  0.217709D+01
               111           112           113           114           115 
      1   0.564696D+00  0.297359D+00  0.639201D+00  0.159720D+01  0.314615D+00
      2   0.217709D+01  0.639201D+00 -0.103810D+02 -0.459662D+01  0.100104D+01
      3  -0.546082D+00  0.159720D+01 -0.459662D+01 -0.163318D+01 -0.127007D+01
               116           117           118           119           120 
      1   0.100104D+01 -0.127007D+01  0.491953D+01  0.192635D+00  0.150373D+01
      2  -0.307524D+01 -0.185646D+01  0.192635D+00  0.128350D+01 -0.268352D+00
      3  -0.185646D+01  0.538739D+00  0.150373D+01 -0.268352D+00  0.140420D+01
               121           122           123           124           125 
      1  -0.789064D+00  0.845963D+00 -0.550162D+00  0.259438D+01 -0.471270D+00
      2   0.845963D+00 -0.828940D+00  0.316303D+00 -0.471270D+00  0.768656D+00
      3  -0.550162D+00  0.316303D+00 -0.397090D+00  0.193171D+01  0.484940D-01
               126           127           128           129           130 
      1   0.193171D+01  0.424479D+01  0.274946D+01 -0.147957D+01  0.286507D+01
      2   0.484940D-01  0.274946D+01  0.245645D+01 -0.134710D+01  0.303651D+01
      3   0.206776D+01 -0.147957D+01 -0.134710D+01  0.137181D+01 -0.142371D+01
               131           132           133           134           135 
      1   0.303651D+01 -0.142371D+01 -0.262777D+01 -0.267099D+01  0.240679D+01
      2   0.529093D+01 -0.193926D+01 -0.267099D+01 -0.298107D+01  0.232070D+01
      3  -0.193926D+01  0.154563D+01  0.240679D+01  0.232070D+01 -0.269512D+01
               136           137           138           139           140 
      1  -0.245403D+01  0.102165D+01 -0.105487D+01  0.915484D+00 -0.110550D+01
      2   0.102165D+01 -0.220019D+01  0.845870D+00 -0.110550D+01  0.341878D+01
      3  -0.105487D+01  0.845870D+00 -0.112724D+01  0.549823D+00 -0.894382D+00
               141           142           143           144           145 
      1   0.549823D+00 -0.174208D+01  0.971925D+00 -0.995405D+00  0.147594D+01
      2  -0.894382D+00  0.971925D+00 -0.176560D+01  0.166232D+01  0.194218D+01
      3   0.968262D+00 -0.995405D+00  0.166232D+01 -0.219117D+01  0.553863D+00
               146           147           148           149           150 
      1   0.194218D+01  0.553863D+00  0.150579D+01  0.186801D+01  0.813329D+00
      2   0.220944D+01  0.879448D+00  0.186801D+01  0.878550D+01  0.270845D+01
      3   0.879448D+00  0.597543D+00  0.813329D+00  0.270845D+01  0.189443D+01
               151           152           153           154           155 
      1   0.512344D+00  0.142355D+01  0.734307D+00 -0.243206D+01 -0.103026D+01
      2   0.142355D+01  0.490831D+01  0.309193D+01 -0.103026D+01 -0.219587D+01
      3   0.734307D+00  0.309193D+01  0.245479D+01  0.104135D+01  0.851348D+00
               156           157           158           159           160 
      1   0.104135D+01 -0.926247D+00 -0.109885D+01  0.553746D+00  0.172599D+01
      2   0.851348D+00 -0.109885D+01 -0.345375D+01  0.897360D+00  0.977692D+00
      3  -0.111817D+01  0.553746D+00  0.897360D+00 -0.976207D+00 -0.982228D+00
               161           162           163           164           165 
      1   0.977692D+00 -0.982228D+00  0.150078D+01 -0.195383D+01 -0.566060D+00
      2   0.177383D+01 -0.166961D+01 -0.195383D+01  0.223320D+01  0.893683D+00
      3  -0.166961D+01  0.218205D+01 -0.566060D+00  0.893683D+00  0.611461D+00
               166           167           168           169           170 
      1  -0.151351D+01  0.188521D+01  0.823949D+00 -0.528509D+00  0.144514D+01
      2   0.188521D+01 -0.873086D+01 -0.270292D+01  0.144514D+01 -0.490259D+01
      3   0.823949D+00 -0.270292D+01 -0.189603D+01  0.751950D+00 -0.309697D+01
               171           172           173           174           175 
      1   0.751950D+00  0.492347D+01 -0.182092D+00 -0.149613D+01  0.799847D+00
      2  -0.309697D+01 -0.182092D+00  0.128256D+01 -0.275195D+00  0.849082D+00
      3  -0.246891D+01 -0.149613D+01 -0.275195D+00  0.139944D+01 -0.556191D+00
               176           177           178           179           180 
      1   0.849082D+00 -0.556191D+00 -0.257969D+01 -0.483039D+00  0.192581D+01
      2   0.873040D+00 -0.330034D+00 -0.483039D+00 -0.788138D+00 -0.301624D-01
      3  -0.330034D+00  0.410093D+00  0.192581D+01 -0.301624D-01 -0.206539D+01
               181           182           183           184           185 
      1   0.427903D+01 -0.275806D+01  0.148907D+01 -0.287478D+01  0.304024D+01
      2  -0.275806D+01  0.246439D+01 -0.135109D+01  0.304024D+01 -0.526632D+01
      3   0.148907D+01 -0.135109D+01  0.137571D+01 -0.142621D+01  0.192738D+01
               186           187           188           189           190 
      1  -0.142621D+01  0.264311D+01 -0.267133D+01  0.241127D+01  0.436473D+01
      2   0.192738D+01 -0.267133D+01  0.295796D+01 -0.230946D+01  0.950669D+00
      3  -0.153943D+01  0.241127D+01 -0.230946D+01  0.268980D+01  0.177734D+01
               191           192           193           194           195 
      1   0.950669D+00  0.177734D+01  0.256588D+01  0.821280D-01  0.185030D+01
      2   0.163685D+01  0.803350D+00  0.821280D-01  0.192394D+01  0.128601D-01
      3   0.803350D+00  0.144982D+01  0.185030D+01  0.128601D-01  0.131853D+01
               196           197           198           199           200 
      1   0.958085D+00  0.105051D+01  0.933000D+00 -0.166043D+01  0.128672D+01
      2   0.105051D+01  0.177757D+00  0.573991D+00  0.128672D+01 -0.984001D+00
      3   0.933000D+00  0.573991D+00  0.174119D+01 -0.130075D+00  0.996053D+00
               201           202           203           204           205 
      1  -0.130075D+00  0.314283D-01 -0.482758D-01  0.329107D+00  0.116038D+01
      2   0.996053D+00 -0.482758D-01 -0.120398D+01  0.905524D+00 -0.228670D+00
      3  -0.159110D+01  0.329107D+00  0.905524D+00 -0.130076D+01  0.127413D+00
               206           207           208           209           210 
      1  -0.228670D+00  0.127413D+00 -0.343350D+01 -0.108300D+01 -0.155370D+01
      2   0.129283D+01 -0.130526D+01 -0.108300D+01 -0.355092D+01 -0.193006D+01
      3  -0.130526D+01  0.564868D+01 -0.155370D+01 -0.193006D+01 -0.184156D+01
               211           212           213           214           215 
      1  -0.164030D+01 -0.129742D+01 -0.940916D+00 -0.125619D+01 -0.855362D+00
      2  -0.129742D+01 -0.130510D+01 -0.209907D+00 -0.855362D+00  0.120326D+00
      3  -0.940916D+00 -0.209907D+00 -0.687562D+00 -0.975457D+00 -0.595128D+00
               216           217           218           219           220 
      1  -0.975457D+00  0.862764D+00 -0.652962D+00 -0.123644D+01 -0.453811D+00
      2  -0.595128D+00 -0.652962D+00  0.153835D+01  0.453791D+00 -0.560200D-01
      3  -0.176824D+01 -0.123644D+01  0.453791D+00  0.193031D+01 -0.221962D+00
               221           222           223           224           225 
      1  -0.560200D-01 -0.221962D+00 -0.108814D+01  0.191456D+00  0.111634D+01
      2   0.212453D+01  0.380591D+00  0.191456D+00 -0.140688D+01 -0.810562D+00
      3   0.380591D+00  0.624290D+00  0.111634D+01 -0.810562D+00 -0.550047D+01
               226           227           228           229           230 
      1   0.494536D+00  0.411273D+00  0.847617D+00  0.247984D+01 -0.112918D+01
      2   0.411273D+00 -0.101321D+01 -0.138856D+00 -0.112918D+01  0.571333D+01
      3   0.847617D+00 -0.138856D+00  0.211489D+00  0.860858D+00 -0.891802D+00
               231           232           233           234           235 
      1   0.860858D+00  0.178779D+01 -0.404022D+00  0.570908D+00  0.943602D+00
      2  -0.891802D+00 -0.404022D+00  0.990037D-03  0.470986D+00 -0.781021D+00
      3   0.123265D+01  0.570908D+00  0.470986D+00 -0.210588D+00  0.459290D-01
               236           237           238           239           240 
      1  -0.781021D+00  0.459290D-01 -0.127458D+01  0.119338D+00 -0.445275D+00
      2  -0.577036D-01 -0.375913D+00  0.119338D+00  0.706999D+00 -0.559651D+00
      3  -0.375913D+00  0.651999D+00 -0.445275D+00 -0.559651D+00 -0.324443D+00
               241           242           243           244           245 
      1  -0.181961D+01  0.241643D+00 -0.913899D+00 -0.346130D+01  0.107903D+01
      2   0.241643D+00 -0.989291D+00  0.110438D+01  0.107903D+01 -0.355789D+01
      3  -0.913899D+00  0.110438D+01 -0.698747D+01  0.156950D+01 -0.192463D+01
               246           247           248           249           250 
      1   0.156950D+01  0.162968D+01 -0.129818D+01 -0.934909D+00  0.126570D+01
      2  -0.192463D+01 -0.129818D+01  0.127750D+01  0.201112D+00 -0.848400D+00
      3  -0.184637D+01 -0.934909D+00  0.201112D+00  0.682479D+00 -0.978822D+00
               251           252           253           254           255 
      1  -0.848400D+00 -0.978822D+00  0.859533D+00  0.651870D+00  0.123953D+01
      2  -0.121781D+00  0.595433D+00  0.651870D+00  0.155298D+01  0.462069D+00
      3   0.595433D+00  0.177235D+01  0.123953D+01  0.462069D+00  0.193829D+01
               256           257           258           259           260 
      1   0.458569D+00 -0.433768D-01 -0.216046D+00  0.108837D+01  0.192445D+00
      2  -0.433768D-01 -0.211802D+01 -0.378936D+00  0.192445D+00  0.141147D+01
      3  -0.216046D+00 -0.378936D+00 -0.611638D+00  0.111740D+01  0.820658D+00
               261           262           263           264           265 
      1   0.111740D+01  0.438565D+01 -0.948220D+00 -0.177772D+01 -0.255507D+01
      2   0.820658D+00 -0.948220D+00  0.166143D+01  0.787119D+00  0.938731D-01
      3   0.550060D+01 -0.177772D+01  0.787119D+00  0.145019D+01  0.183400D+01
               266           267           268           269           270 
      1   0.938731D-01  0.183400D+01 -0.954405D+00  0.104259D+01  0.929286D+00
      2  -0.198259D+01  0.270138D-01  0.104259D+01 -0.132749D+00 -0.584632D+00
      3   0.270138D-01 -0.131971D+01  0.929286D+00 -0.584632D+00 -0.171931D+01
               271           272           273           274           275 
      1  -0.164817D+01 -0.128944D+01  0.126569D+00 -0.401359D-01 -0.564359D-01
      2  -0.128944D+01 -0.991949D+00  0.994468D+00 -0.564359D-01  0.119576D+01
      3   0.126569D+00  0.994468D+00 -0.158924D+01  0.330104D+00 -0.897631D+00
               276           277           278           279           280 
      1   0.330104D+00 -0.116232D+01 -0.234259D+00  0.132230D+00 -0.960763D+00
      2  -0.897631D+00 -0.234259D+00 -0.129264D+01  0.129904D+01 -0.689404D+00
      3   0.128796D+01  0.132230D+00  0.129904D+01 -0.566015D+01 -0.996841D+00
               281           282           283           284           285 
      1  -0.689404D+00 -0.996841D+00 -0.152377D+01 -0.128170D+01 -0.559947D+00
      2  -0.423541D+00 -0.190943D+00 -0.128170D+01 -0.406648D+01 -0.200378D+01
      3  -0.190943D+00 -0.418778D+00 -0.559947D+00 -0.200378D+01 -0.223085D+01
               286           287           288           289           290 
      1  -0.164899D+01 -0.410184D+00 -0.903865D+00 -0.907424D+01  0.227344D+01
      2  -0.410184D+00 -0.153944D+01 -0.146881D+01  0.227344D+01 -0.159293D+01
      3  -0.903865D+00 -0.146881D+01 -0.214826D+01 -0.245632D+01  0.599421D+00
               291           292           293           294           295 
      1  -0.245632D+01  0.444148D+01 -0.243643D+01  0.143004D+01 -0.272222D+01
      2   0.599421D+00 -0.243643D+01  0.139337D+01 -0.122794D+01  0.759723D+00
      3  -0.183647D+01  0.143004D+01 -0.122794D+01  0.928159D+00 -0.238514D+01
               296           297           298           299           300 
      1   0.759723D+00 -0.238514D+01 -0.904371D+01 -0.229630D+01  0.243879D+01
      2  -0.757185D+00  0.637808D+00 -0.229630D+01 -0.160910D+01  0.601471D+00
      3   0.637808D+00 -0.149512D+01  0.243879D+01  0.601471D+00 -0.182547D+01
               301           302           303           304           305 
      1  -0.446728D+01 -0.246138D+01  0.143101D+01  0.270384D+01  0.763786D+00
      2  -0.246138D+01 -0.142125D+01  0.123240D+01  0.763786D+00  0.760764D+00
      3   0.143101D+01  0.123240D+01 -0.932776D+00 -0.237457D+01 -0.645681D+00
               306           307           308           309           310 
      1  -0.237457D+01 -0.958426D+00  0.707268D+00  0.995369D+00  0.155086D+01
      2  -0.645681D+00  0.707268D+00 -0.435373D+00 -0.199994D+00 -0.129088D+01
      3   0.148464D+01  0.995369D+00 -0.199994D+00 -0.428827D+00 -0.571853D+00
               311           312           313           314           315 
      1  -0.129088D+01 -0.571853D+00  0.165008D+01 -0.414237D+00 -0.911154D+00
      2   0.406058D+01  0.199849D+01 -0.414237D+00  0.153437D+01  0.146417D+01
      3   0.199849D+01  0.222930D+01 -0.911154D+00  0.146417D+01  0.214490D+01
               316           317           318           319           320 
      1   0.931674D+00  0.785771D+00 -0.432485D-01  0.128426D+01  0.129282D+00
      2   0.785771D+00 -0.511143D-01 -0.375368D+00  0.129282D+00 -0.700819D+00
      3  -0.432485D-01 -0.375368D+00  0.644398D+00 -0.449795D+00  0.555159D+00
               321           322           323           324           325 
      1  -0.449795D+00  0.181791D+01  0.245452D+00 -0.916418D+00  0.507066D+00
      2   0.555159D+00  0.245452D+00  0.988458D+00 -0.109677D+01 -0.395059D+00
      3   0.339222D+00 -0.916418D+00 -0.109677D+01  0.699027D+01 -0.847257D+00
               326           327           328           329           330 
      1  -0.395059D+00 -0.847257D+00 -0.246530D+01 -0.112736D+01  0.852734D+00
      2  -0.996094D+00 -0.147270D+00 -0.112736D+01 -0.571847D+01  0.908783D+00
      3  -0.147270D+00  0.213839D+00  0.852734D+00  0.908783D+00 -0.123289D+01
               331           332           333 
      1  -0.177827D+01 -0.410755D+00  0.567451D+00
      2  -0.410755D+00  0.961482D-02 -0.468755D+00
      3   0.567451D+00 -0.468755D+00  0.218723D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.220425D+01 -0.255343D+00  0.700881D-01  0.593954D+00 -0.195157D+01
      2  -0.451942D+01 -0.664400D+01  0.716536D+01 -0.764073D+01 -0.784560D+01
      3  -0.924633D+01 -0.205139D+01  0.289290D+01  0.117203D+01  0.987301D+01
                 6             7             8             9            10 
      1  -0.416189D+01  0.583361D+00 -0.428206D+00 -0.613159D+00  0.219255D+01
      2  -0.598140D+01  0.244256D+01 -0.761289D+00  0.113203D+01  0.457729D+01
      3   0.828070D+01  0.373010D+01  0.884175D+01  0.357144D+01  0.925637D+01
                11            12            13            14            15 
      1   0.320245D+00 -0.861642D-01 -0.530751D+00 -0.196361D+01 -0.417533D+01
      2  -0.666509D+01  0.715847D+01 -0.768867D+01  0.776948D+01  0.598267D+01
      3  -0.190418D+01  0.294518D+01  0.131988D+01 -0.986518D+01 -0.826972D+01
                16            17            18            19            20 
      1  -0.593358D+00 -0.425418D+00 -0.601570D+00 -0.669190D+00  0.664875D+01
      2   0.242468D+01  0.755264D+00 -0.111691D+01 -0.181627D+02 -0.110989D+01
      3   0.378309D+01 -0.884357D+01 -0.355937D+01 -0.120766D+02  0.288851D+01
                21            22            23            24            25 
      1   0.187317D+01  0.176493D+02  0.148786D+02 -0.984746D+01  0.108722D+02
      2  -0.160648D+01 -0.110709D+01 -0.282839D+01 -0.678206D+00 -0.236854D+02
      3   0.153269D+01  0.248501D+02  0.162834D+02 -0.942717D+01  0.282240D+01
                26            27            28            29            30 
      1   0.667373D+01 -0.129351D+02 -0.164435D+01  0.118161D-01  0.180855D-01
      2  -0.856031D+01  0.209640D+02 -0.640979D-01  0.115914D+01 -0.405830D+01
      3  -0.226898D+01  0.378327D-01 -0.364947D-01  0.766750D+01  0.132846D+01
                31            32            33            34            35 
      1  -0.228147D-01  0.366222D+00  0.500335D+01 -0.605587D-02 -0.112562D+02
      2  -0.383086D+00 -0.267279D-01 -0.146361D-02  0.122097D+02  0.313704D-01
      3  -0.966554D+01  0.319020D-02  0.486071D-01  0.315564D+00  0.148067D-01
                36            37            38            39            40 
      1   0.126284D+00 -0.640760D+01  0.746963D+01  0.672589D+01  0.119682D+02
      2  -0.270300D-01 -0.191261D+02 -0.830074D+01  0.755496D+01  0.118752D+01
      3  -0.191250D-01 -0.216140D+02 -0.324105D+01  0.116411D+02  0.180058D+02
                41            42            43            44            45 
      1   0.110003D+02 -0.425781D+01  0.119319D+02  0.915199D+01 -0.731237D+01
      2  -0.171041D+00 -0.924979D+01 -0.183519D+02 -0.171696D+02  0.176948D+02
      3   0.159219D+02 -0.781661D+01  0.460917D+01 -0.486630D+01  0.299748D+01
                46            47            48            49            50 
      1   0.576223D+01 -0.438803D+01  0.268874D+01 -0.385692D+01 -0.778642D+01
      2  -0.393794D+01  0.524184D+01 -0.187474D+01  0.395774D+01  0.539983D+01
      3  -0.384247D+01  0.182055D+00 -0.877828D+01  0.607362D+01 -0.290913D+01
                51            52            53            54            55 
      1  -0.640637D+01  0.103855D+01 -0.310673D+01  0.137329D+01 -0.791930D+00
      2   0.304406D+01 -0.383501D+01  0.396702D+01 -0.111107D+01 -0.912046D+00
      3  -0.292856D+01 -0.129301D+02 -0.154017D+01 -0.512141D+01  0.585590D+01
                56            57            58            59            60 
      1   0.846067D+01 -0.667014D+01  0.999424D+01  0.268979D+01 -0.715826D+00
      2  -0.372619D+01  0.432613D+01 -0.346290D+01  0.655815D-01  0.714796D+00
      3  -0.479930D+01  0.206895D+01  0.803204D+00  0.280624D+00 -0.901084D+01
                61            62            63            64            65 
      1  -0.622327D+01  0.360296D+00 -0.153625D+01  0.158328D+00  0.189539D+01
      2   0.167226D+00  0.107849D+01  0.610549D+00 -0.227947D+01  0.177879D+02
      3   0.562659D+01 -0.115902D+02  0.550100D+01 -0.294162D+00 -0.312932D+02
                66            67            68            69            70 
      1   0.649667D+01 -0.286986D+01 -0.179824D+02  0.175458D+01  0.680611D+01
      2   0.114826D+02  0.893665D+01 -0.275584D+01 -0.382129D+01  0.760312D+00
      3  -0.126380D+02 -0.891006D+01  0.625669D+01  0.646413D+01 -0.618680D+01
                71            72            73            74            75 
      1   0.290232D+02  0.181175D+02 -0.649222D+00 -0.669484D+01 -0.182353D+01
      2  -0.826906D+00  0.229282D+01  0.182797D+02 -0.110842D+01 -0.152032D+01
      3   0.181314D+01 -0.286174D+01  0.120532D+02  0.293977D+01  0.154484D+01
                76            77            78            79            80 
      1  -0.176769D+02  0.147835D+02 -0.981960D+01 -0.108246D+02  0.664956D+01
      2  -0.115593D+01  0.289894D+01  0.655168D+00 -0.236353D+02  0.852115D+01
      3   0.248456D+02 -0.161607D+02  0.937983D+01  0.286528D+01  0.225182D+01
                81            82            83            84            85 
      1  -0.128707D+02 -0.639777D+01 -0.750487D+01 -0.677091D+01 -0.120222D+02
      2  -0.210012D+02  0.190673D+02 -0.830242D+01  0.750726D+01  0.120998D+01
      3  -0.459788D-01  0.215072D+02 -0.315667D+01  0.116452D+02  0.181049D+02
                86            87            88            89            90 
      1   0.109857D+02 -0.432746D+01 -0.119141D+02  0.900581D+01 -0.724211D+01
      2   0.108881D+00  0.931958D+01 -0.183945D+02  0.171715D+02 -0.176855D+02
      3  -0.159499D+02  0.791267D+01  0.460994D+01  0.495331D+01 -0.302220D+01
                91            92            93            94            95 
      1   0.569612D+01  0.448068D+01 -0.264818D+01  0.391708D+01 -0.773953D+01
      2   0.390845D+01  0.534049D+01 -0.185839D+01  0.401079D+01 -0.539471D+01
      3   0.381318D+01  0.302639D+00 -0.881865D+01  0.611151D+01  0.286025D+01
                96            97            98            99           100 
      1  -0.640536D+01 -0.984221D+00 -0.312366D+01  0.135017D+01 -0.698453D+00
      2  -0.308007D+01 -0.379214D+01 -0.401236D+01  0.109955D+01  0.950522D+00
      3   0.288424D+01 -0.129267D+02  0.146938D+01  0.510969D+01 -0.583043D+01
               101           102           103           104           105 
      1  -0.850452D+01  0.661416D+01 -0.100255D+02  0.265627D+01 -0.650944D+00
      2  -0.375670D+01  0.434319D+01 -0.350278D+01 -0.874410D-01 -0.700822D+00
      3  -0.486006D+01  0.201167D+01  0.778811D+00 -0.348711D+00  0.904322D+01
               106           107           108           109           110 
      1   0.616605D+01  0.440112D+00 -0.150204D+01  0.142792D+00 -0.190952D+01
      2   0.173997D+00 -0.106957D+01 -0.610794D+00  0.219643D+01  0.177763D+02
      3   0.555890D+01  0.116545D+02 -0.545555D+01  0.431840D+00 -0.312727D+02
               111           112           113           114           115 
      1  -0.654489D+01  0.290865D+01 -0.180159D+02  0.167239D+01 -0.690061D+01
      2   0.114420D+02  0.893744D+01  0.280537D+01  0.387412D+01  0.725396D+00
      3  -0.126095D+02 -0.886016D+01 -0.640703D+01 -0.651353D+01 -0.616411D+01
               116           117           118           119           120 
      1   0.289947D+02  0.181417D+02 -0.421114D+01  0.110653D+01 -0.308281D+01
      2   0.919905D+00 -0.223739D+01  0.505428D+01 -0.109294D+01  0.526931D+01
      3  -0.183196D+01  0.285483D+01  0.115526D+02 -0.448290D+01  0.490779D+01
               121           122           123           124           125 
      1   0.165676D+01 -0.730840D+00  0.529012D+00 -0.430168D+01  0.188122D+01
      2  -0.194323D+01  0.102893D+01 -0.196969D+01  0.444171D+01 -0.341213D+00
      3  -0.393668D+01  0.646877D+01 -0.262261D+01  0.809270D+01 -0.435936D+01
               126           127           128           129           130 
      1  -0.579364D+01  0.165229D+01  0.106330D+01 -0.346004D+01  0.218069D+01
      2   0.679080D+01 -0.806809D+00 -0.116597D+01  0.341877D+01 -0.184892D+01
      3   0.463135D+01  0.440381D+01 -0.226363D+00 -0.897336D+00  0.127214D+01
               131           132           133           134           135 
      1   0.124156D+01 -0.411653D+01 -0.186512D+01  0.780620D-01  0.534215D+01
      2  -0.239012D+01  0.347970D+01  0.974586D+00  0.195967D+01 -0.490177D+01
      3  -0.519115D+01  0.657023D+00  0.818698D+00  0.362627D+01  0.206482D+00
               136           137           138           139           140 
      1   0.456819D+01 -0.330302D+01  0.496534D+01 -0.240153D+01  0.345876D+01
      2  -0.951620D+00  0.664015D+00  0.342380D+00  0.583516D+00 -0.611559D+00
      3  -0.118161D+02  0.349619D+01 -0.507440D+01  0.422910D+01 -0.665067D+01
               141           142           143           144           145 
      1  -0.386146D+01  0.424257D+01 -0.413103D+01  0.899623D+01 -0.493372D+00
      2   0.230661D+00 -0.217034D+01  0.501405D+00 -0.161039D+01 -0.326004D+00
      3   0.272998D+01 -0.824493D+01  0.442423D+01 -0.483961D+01  0.313707D+01
               146           147           148           149           150 
      1  -0.222535D+01 -0.195718D+01 -0.922698D+00 -0.379266D+01 -0.674958D+01
      2   0.195803D+00  0.934891D+00 -0.430687D+00  0.130008D+01  0.201504D+01
      3   0.325117D+01  0.887857D+00  0.480772D+01 -0.236808D+01 -0.429585D+00
               151           152           153           154           155 
      1  -0.537978D+00 -0.242503D+01 -0.661584D+01  0.449870D+01  0.334668D+01
      2  -0.133638D+01  0.543697D+00  0.204413D+01  0.943251D+00  0.680186D+00
      3   0.252657D+01  0.251397D+01 -0.324484D+00  0.117363D+02  0.357853D+01
               156           157           158           159           160 
      1  -0.492682D+01  0.243540D+01  0.346428D+01 -0.390885D+01 -0.418383D+01
      2   0.335703D+00  0.599880D+00  0.618390D+00 -0.248052D+00 -0.216438D+01
      3  -0.502217D+01  0.430364D+01  0.668259D+01 -0.276910D+01 -0.818961D+01
               161           162           163           164           165 
      1  -0.418120D+01  0.896203D+01 -0.518354D+00  0.224162D+01  0.199548D+01
      2  -0.533556D+00  0.163352D+01  0.327684D+00  0.208957D+00  0.954333D+00
      3  -0.449193D+01  0.481248D+01 -0.318353D+01  0.323057D+01  0.898058D+00
               166           167           168           169           170 
      1   0.947251D+00 -0.378742D+01 -0.673659D+01  0.567692D+00 -0.243912D+01
      2  -0.419568D+00 -0.131799D+01 -0.203928D+01 -0.133492D+01 -0.558254D+00
      3   0.477477D+01  0.238732D+01  0.425932D+00  0.255021D+01 -0.251579D+01
               171           172           173           174           175 
      1  -0.664698D+01 -0.416175D+01 -0.112465D+01  0.305212D+01 -0.167155D+01
      2  -0.208175D+01 -0.503820D+01 -0.112968D+01  0.526354D+01 -0.198153D+01
      3   0.310999D+00 -0.115182D+02 -0.452900D+01  0.489639D+01 -0.397966D+01
               176           177           178           179           180 
      1  -0.807465D+00  0.569401D+00  0.426659D+01  0.195253D+01 -0.577391D+01
      2  -0.109502D+01  0.202680D+01  0.444765D+01  0.409605D+00 -0.681213D+01
      3  -0.664439D+01  0.269373D+01  0.806897D+01  0.447108D+01 -0.466332D+01
               181           182           183           184           185 
      1   0.165944D+01 -0.106735D+01  0.346255D+01 -0.216954D+01  0.121230D+01
      2   0.822861D+00 -0.118265D+01  0.344405D+01 -0.185832D+01  0.237194D+01
      3  -0.440908D+01 -0.277662D+00 -0.885752D+00  0.123545D+01  0.519069D+01
               186           187           188           189           190 
      1  -0.409139D+01  0.185077D+01  0.100834D+00  0.531227D+01  0.428848D+01
      2  -0.347977D+01  0.973988D+00 -0.193655D+01  0.490685D+01 -0.290291D+01
      3  -0.652772D+00  0.823307D+00 -0.359719D+01 -0.212102D+00 -0.681934D+01
               191           192           193           194           195 
      1   0.365745D+01  0.315244D+01  0.429370D+01  0.461707D+01  0.228940D+01
      2  -0.864202D+00  0.649845D+00 -0.447276D+01  0.102466D+01 -0.692823D+00
      3  -0.539384D+01 -0.354189D+01 -0.648129D+01 -0.528242D+01 -0.407997D+01
               196           197           198           199           200 
      1   0.193204D+01  0.249467D+01  0.241224D+01  0.126631D+01 -0.158145D+01
      2   0.564696D+00  0.541438D+00  0.107862D+01 -0.106149D+01  0.275543D+01
      3  -0.174249D+01 -0.126651D+01 -0.267546D+01 -0.209189D+01  0.240541D+01
               201           202           203           204           205 
      1  -0.759741D+00  0.240527D+00 -0.375609D+00 -0.708595D+00 -0.121720D+00
      2  -0.574237D+01  0.160194D+01  0.161810D+01 -0.257403D+01 -0.165590D+01
      3  -0.277040D+01  0.154221D+01  0.115404D+01 -0.161635D+01 -0.145759D+00
               206           207           208           209           210 
      1   0.143596D+01  0.402871D+01 -0.255298D+01  0.277356D+01 -0.194436D+01
      2  -0.263704D+01  0.111618D+02 -0.767479D+01 -0.405552D+01 -0.317075D+01
      3  -0.225612D+01  0.232574D+01  0.111376D+02  0.416935D+01  0.556431D+01
               211           212           213           214           215 
      1   0.917049D-01 -0.768327D+00 -0.160737D+01 -0.242671D+01 -0.329532D+00
      2  -0.191622D+01 -0.605216D+00 -0.948148D+00 -0.239614D+01 -0.314947D+00
      3   0.317082D+01  0.123313D+01  0.111638D+01  0.211162D+01  0.102460D+01
               216           217           218           219           220 
      1  -0.211874D+01 -0.226866D+01 -0.401554D-01  0.493713D+01 -0.375317D+00
      2  -0.177885D+01  0.181850D+01 -0.136999D+01 -0.150295D+01  0.647004D+00
      3   0.288613D+01 -0.221904D+01  0.908382D+00  0.284615D+01  0.178980D-01
               221           222           223           224           225 
      1   0.138246D+01  0.304643D+01  0.215497D+01  0.269515D+00 -0.114146D+02
      2  -0.219615D+01 -0.136692D+01 -0.248107D+01  0.693809D+00  0.177281D+01
      3   0.305883D+01  0.154445D+01  0.215745D+01 -0.107317D+01 -0.246537D+01
               226           227           228           229           230 
      1   0.766433D+00 -0.101596D+01  0.928507D+00  0.222205D+01 -0.980341D+01
      2   0.141873D+01  0.538217D+00  0.152604D+01  0.285531D+01  0.488561D+00
      3   0.318863D+00  0.604850D+00 -0.595448D+00  0.965822D+00  0.119844D+02
               231           232           233           234           235 
      1   0.509803D-01  0.233310D+01 -0.226574D+01  0.111415D+00 -0.183519D+01
      2  -0.925005D+00  0.165452D+01 -0.178964D+01  0.736326D+00  0.825047D+00
      3  -0.154717D+01 -0.171446D+00  0.208505D+01  0.346973D+00  0.166615D+01
               236           237           238           239           240 
      1   0.824692D+00 -0.193075D+01  0.874032D+00  0.202367D+00  0.165983D+01
      2   0.131292D+01 -0.270704D+01  0.615706D-01  0.141817D+01  0.880413D+00
      3  -0.760618D+00 -0.289751D+00  0.146616D+00  0.421377D+00 -0.164874D+01
               241           242           243           244           245 
      1   0.144573D+01  0.710312D+00  0.664310D+01 -0.260240D+01 -0.277483D+01
      2  -0.151517D+01 -0.253233D+01  0.135879D+02  0.771367D+01 -0.402437D+01
      3  -0.215547D+01 -0.140007D+01  0.137614D+01 -0.112359D+02  0.408586D+01
               246           247           248           249           250 
      1   0.197946D+01 -0.105626D+00 -0.791682D+00 -0.160089D+01  0.244532D+01
      2  -0.317602D+01 -0.187469D+01  0.590414D+00  0.927794D+00 -0.239859D+01
      3   0.558725D+01  0.309640D+01 -0.123965D+01 -0.109254D+01  0.213524D+01
               251           252           253           254           255 
      1  -0.317110D+00 -0.212949D+01 -0.227197D+01  0.279843D-01 -0.495645D+01
      2   0.307226D+00  0.177464D+01 -0.182858D+01 -0.138463D+01 -0.152622D+01
      3  -0.101922D+01 -0.289588D+01  0.222313D+01  0.933664D+00  0.285930D+01
               256           257           258           259           260 
      1   0.359057D+00  0.135950D+01  0.300823D+01 -0.215644D+01  0.251521D+00
      2   0.632764D+00  0.219946D+01  0.136961D+01 -0.249103D+01 -0.706511D+00
      3   0.347566D-01 -0.305141D+01 -0.153433D+01  0.216223D+01  0.108579D+01
               261           262           263           264           265 
      1  -0.114059D+02  0.430681D+01 -0.370291D+01 -0.312223D+01 -0.429804D+01
      2  -0.181596D+01  0.294540D+01 -0.911239D+00  0.658541D+00 -0.451347D+01
      3   0.247736D+01  0.688189D+01 -0.549208D+01 -0.350826D+01 -0.654180D+01
               266           267           268           269           270 
      1   0.476124D+01  0.218453D+01 -0.190757D+01  0.239438D+01  0.242721D+01
      2  -0.870397D+00  0.637679D+00  0.589807D+00 -0.603964D+00 -0.102854D+01
      3   0.553010D+01  0.393457D+01 -0.169869D+01  0.111639D+01  0.271549D+01
               271           272           273           274           275 
      1   0.124212D+01  0.156939D+01  0.780940D+00 -0.239902D+00 -0.368685D+00
      2   0.106737D+01  0.276522D+01 -0.573994D+01  0.160988D+01 -0.160128D+01
      3   0.208078D+01  0.240594D+01 -0.276083D+01  0.155279D+01 -0.113829D+01
               276           277           278           279           280 
      1  -0.705933D+00  0.122608D+00  0.143307D+01  0.408084D+01  0.663192D+00
      2   0.253524D+01 -0.164046D+01  0.262159D+01 -0.111801D+02  0.380210D+01
      3   0.160439D+01 -0.140781D+00  0.224980D+01 -0.230684D+01 -0.242758D+01
               281           282           283           284           285 
      1   0.145286D+00  0.164004D+00  0.134469D+01  0.500526D+01  0.549624D+00
      2  -0.406529D+00  0.333245D+00 -0.483939D+00  0.580847D+01  0.790996D+01
      3  -0.113733D+01 -0.485039D+00 -0.153189D+01 -0.153736D+02 -0.715962D+01
               286           287           288           289           290 
      1   0.112112D+00  0.292179D+01  0.108190D+01 -0.130661D+01  0.151015D+01
      2  -0.424948D+00  0.511578D+01  0.620429D+01 -0.748047D+00 -0.311406D+00
      3  -0.103081D+01 -0.573681D+01 -0.565710D+01  0.467452D+01 -0.630409D+01
               291           292           293           294           295 
      1  -0.782846D-01  0.156427D+01 -0.143477D+01 -0.133975D+00 -0.489099D-01
      2   0.582256D+01  0.371820D+01  0.122029D+01 -0.156840D+01  0.247775D+01
      3   0.203081D+01 -0.316417D+01  0.480548D+01 -0.327106D+01 -0.101842D+00
               296           297           298           299           300 
      1   0.130182D+01  0.529775D-01 -0.129930D+01 -0.150530D+01  0.531329D-01
      2  -0.158754D+01  0.273355D+01  0.731837D+00 -0.308843D+00  0.581454D+01
      3  -0.303938D+01  0.110954D+01 -0.466045D+01 -0.632143D+01  0.201666D+01
               301           302           303           304           305 
      1  -0.158466D+01 -0.144066D+01 -0.144843D+00  0.390186D-01  0.129127D+01
      2   0.373319D+01 -0.120579D+01  0.159359D+01  0.247476D+01  0.160061D+01
      3  -0.318882D+01 -0.485891D+01  0.327522D+01 -0.109030D+00  0.303494D+01
               306           307           308           309           310 
      1   0.620641D-01  0.726744D+00 -0.152229D+00 -0.176331D+00 -0.133954D+01
      2  -0.271257D+01 -0.384926D+01 -0.415359D+00  0.389525D+00 -0.496037D+00
      3  -0.111185D+01  0.254384D+01 -0.116933D+01 -0.544314D+00 -0.155464D+01
               311           312           313           314           315 
      1   0.501948D+01  0.561179D+00 -0.128848D+00  0.293008D+01  0.109657D+01
      2  -0.579932D+01 -0.790041D+01 -0.383065D+00 -0.509837D+01 -0.619769D+01
      3   0.154051D+02  0.714274D+01 -0.107298D+01  0.572861D+01  0.565352D+01
               316           317           318           319           320 
      1  -0.182665D+01 -0.836941D+00  0.192849D+01 -0.891484D+00  0.206829D+00
      2  -0.829186D+00  0.130081D+01 -0.268293D+01  0.572091D-01 -0.140921D+01
      3  -0.167410D+01 -0.773133D+00 -0.281599D+00  0.125326D+00 -0.415871D+00
               321           322           323           324           325 
      1   0.168585D+01 -0.145043D+01  0.700288D+00  0.670086D+01  0.811917D+00
      2  -0.911071D+00 -0.151581D+01  0.250886D+01 -0.135685D+02 -0.143280D+01
      3   0.165239D+01 -0.216326D+01  0.138478D+01 -0.134732D+01 -0.278362D+00
               326           327           328           329           330 
      1   0.103343D+01 -0.947602D+00 -0.223563D+01 -0.977404D+01  0.820716D-01
      2   0.532994D+00  0.151640D+01  0.283997D+01 -0.523762D+00  0.939734D+00
      3   0.627613D+00 -0.630250D+00  0.940155D+00 -0.119458D+02  0.159898D+01
               331           332           333 
      1  -0.233535D+01 -0.224952D+01  0.119149D+00
      2   0.163271D+01  0.179166D+01 -0.739702D+00
      3  -0.193160D+00 -0.204744D+01 -0.339756D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.201433D+02  0.244298D+02 -0.203006D+02  0.302425D+02 -0.291405D+01
      2   0.129505D+02 -0.139203D+02  0.102216D+02 -0.177352D+02  0.304416D+01
      3   0.719281D+01 -0.105095D+02  0.100790D+02 -0.125073D+02 -0.130105D+00
      4   0.219475D+02 -0.625705D+01  0.375563D+01 -0.843105D+01 -0.107485D+02
      5  -0.198061D+02  0.510610D+01 -0.746878D+01  0.967889D+01 -0.177146D+02
      6   0.686979D+01 -0.629772D+00 -0.725492D+00 -0.432996D+01 -0.462841D+01
                 6             7             8             9            10 
      1   0.722879D+01 -0.153207D+02  0.477941D+01 -0.378797D+01 -0.198008D+02
      2  -0.447234D+01  0.703674D+01 -0.308603D+01  0.154142D+00  0.126488D+02
      3  -0.275645D+01  0.828398D+01 -0.169338D+01  0.363383D+01  0.715206D+01
      4  -0.153344D+02  0.423552D+01 -0.130830D+02 -0.331101D+01 -0.220461D+02
      5  -0.521785D+01 -0.737949D+01 -0.335534D+01  0.367514D+01  0.196630D+02
      6  -0.622456D+01  0.256786D+00 -0.545328D+01 -0.144798D+01  0.689306D+01
                11            12            13            14            15 
      1  -0.244487D+02  0.202327D+02 -0.302776D+02 -0.332437D+01  0.710635D+01
      2   0.138939D+02 -0.101436D+02  0.177148D+02  0.328597D+01 -0.436565D+01
      3   0.105548D+02 -0.100890D+02  0.125629D+02  0.384015D-01 -0.274070D+01
      4  -0.661307D+01  0.375729D+01 -0.883947D+01  0.106829D+02  0.154009D+02
      5   0.503012D+01 -0.739505D+01  0.958230D+01  0.177991D+02  0.523925D+01
      6   0.708825D+00  0.749167D+00  0.442989D+01 -0.453542D+01 -0.617929D+01
                16            17            18            19            20 
      1   0.152479D+02  0.466934D+01 -0.372875D+01  0.152893D+02  0.129935D+02
      2  -0.696701D+01 -0.298769D+01  0.143322D+00 -0.158898D+02 -0.921556D+01
      3  -0.828090D+01 -0.168165D+01  0.358542D+01  0.600507D+00 -0.377794D+01
      4   0.421863D+01  0.131393D+02  0.331040D+01  0.521902D+01 -0.245234D+00
      5  -0.732867D+01  0.336512D+01 -0.369257D+01 -0.109227D+02 -0.300931D+01
      6  -0.239367D+00 -0.543533D+01 -0.144930D+01 -0.741937D+01  0.129122D+01
                21            22            23            24            25 
      1  -0.121248D+02  0.609587D+01  0.225066D+01  0.178985D+01 -0.525243D+01
      2   0.111541D+02 -0.442743D+01 -0.831996D+01  0.415764D+00  0.558619D+01
      3   0.970658D+00 -0.166844D+01  0.606930D+01 -0.220561D+01 -0.333753D+00
      4  -0.101152D+01 -0.249065D+00 -0.114069D+02 -0.157845D+01 -0.113029D+01
      5   0.776761D+01 -0.191764D+01 -0.250482D+01  0.165194D+01  0.560598D+01
      6   0.135598D+01  0.139041D+00  0.451236D+01  0.365319D+01  0.286182D+00
                26            27            28            29            30 
      1  -0.866568D-01  0.991479D+01 -0.118412D+02 -0.100416D-01  0.180612D-01
      2  -0.605698D+00  0.415179D+01  0.227364D+01  0.475535D-02 -0.218550D-01
      3   0.692355D+00 -0.140666D+02  0.956758D+01  0.528630D-02  0.379379D-02
      4   0.495912D-01 -0.141004D+01 -0.253758D-02 -0.622550D+01 -0.569231D+01
      5  -0.239980D+00  0.666192D+01  0.111445D-01 -0.374111D+01 -0.243102D+01
      6   0.336750D+01  0.243317D+01 -0.330057D+01 -0.108945D-01  0.101439D-01
                31            32            33            34            35 
      1   0.532589D-02  0.239756D+01 -0.594304D+01  0.140512D-01 -0.858702D+01
      2  -0.977217D-02 -0.108679D+02  0.701260D+01 -0.177000D-01  0.927829D+01
      3   0.444628D-02  0.847031D+01 -0.106956D+01  0.364884D-02 -0.691268D+00
      4  -0.750039D+01  0.840769D-02 -0.335357D-01 -0.856432D+01 -0.232605D-01
      5  -0.351940D+01 -0.192131D-01  0.186513D-02  0.461694D+01  0.191968D-03
      6  -0.156479D-01  0.406518D+01 -0.256926D+01  0.100075D-01  0.356932D+01
                36            37            38            39            40 
      1   0.593118D+00 -0.654478D+01  0.145006D+01  0.983059D+01  0.683436D+00
      2   0.758356D+00  0.106857D+02 -0.367605D+01 -0.720026D+01  0.659004D+00
      3  -0.135147D+01 -0.414095D+01  0.222599D+01 -0.263033D+01 -0.134244D+01
      4  -0.332872D-02  0.107684D+02  0.628695D+01 -0.811967D+01  0.101982D+02
      5   0.860354D-02  0.254704D+01 -0.112737D+02  0.274427D+01 -0.106784D+02
      6  -0.672036D+00 -0.378567D+01 -0.510600D+01  0.642044D+01 -0.433546D+01
                41            42            43            44            45 
      1  -0.655848D+01 -0.498116D+01  0.832486D+01 -0.522951D+01  0.577294D+01
      2   0.513999D+01 -0.466499D+01 -0.421499D+01 -0.108383D+01  0.187974D+01
      3   0.141849D+01  0.964615D+01 -0.410987D+01  0.631333D+01 -0.765268D+01
      4   0.828234D+01 -0.961676D+01 -0.299327D+01 -0.627587D+01  0.235174D+01
      5  -0.466926D+01  0.329303D+01  0.199109D+01  0.902265D+00  0.112733D+01
      6  -0.329313D+01  0.130680D+01  0.415753D+01  0.166641D+00  0.603439D+01
                46            47            48            49            50 
      1  -0.744999D+01  0.159710D+01 -0.131360D+02  0.163112D+01 -0.115746D+01
      2   0.194418D+01 -0.209277D+01  0.170120D+02 -0.586886D+01  0.740137D+00
      3   0.550581D+01  0.495668D+00 -0.387600D+01  0.423774D+01  0.417328D+00
      4  -0.122861D+02 -0.801495D+01  0.806675D+01 -0.136761D+02 -0.972461D+01
      5  -0.336077D+01  0.126014D+02 -0.854607D+01  0.134667D+02  0.121016D+02
      6   0.167559D+01  0.144678D+02 -0.937470D+01  0.149188D+02  0.120158D+02
                51            52            53            54            55 
      1   0.609962D+01 -0.155542D+02  0.712944D+01 -0.864032D+01  0.331243D+01
      2   0.686344D+01  0.194830D+02  0.504256D+01  0.454996D+01 -0.303831D+01
      3  -0.129631D+02 -0.392882D+01 -0.121720D+02  0.409036D+01 -0.274116D+00
      4   0.198899D+02  0.127055D+02  0.241680D+02 -0.107456D+02  0.329447D+01
      5  -0.174717D+01 -0.130365D+02 -0.427447D+01  0.156313D+01  0.120788D+01
      6  -0.502803D+01 -0.118509D+02 -0.546560D+01  0.232461D+01  0.487073D+01
                56            57            58            59            60 
      1   0.391109D+01  0.103781D+02  0.189491D+01  0.161822D+02  0.328616D+01
      2  -0.594794D+01 -0.192864D+02 -0.346610D+00 -0.240954D+02 -0.139110D+02
      3   0.203685D+01  0.890828D+01 -0.154830D+01  0.791316D+01  0.106248D+02
      4  -0.727971D+01  0.427571D+00 -0.316217D+01 -0.105825D+02 -0.198184D+02
      5  -0.316845D+01 -0.902978D+00 -0.334759D+01 -0.869239D+01 -0.409159D+01
      6  -0.174134D+02  0.358318D+01 -0.168447D+02 -0.190812D+02 -0.112777D+02
                61            62            63            64            65 
      1   0.132065D+02  0.782321D+01  0.995607D+01  0.270472D+01 -0.522171D+01
      2  -0.211744D+02 -0.179598D+02 -0.133706D+02 -0.204792D+01  0.481399D+01
      3   0.796790D+01  0.101365D+02  0.341454D+01 -0.656800D+00  0.407722D+00
      4   0.199117D+01 -0.234323D+02  0.150420D+01  0.722487D+01  0.175923D+01
      5  -0.412579D+00 -0.342409D+01 -0.112543D+01  0.276776D+01 -0.269323D+01
      6   0.406438D+01 -0.163421D+02 -0.117445D+01 -0.641159D+01  0.802022D+01
                66            67            68            69            70 
      1  -0.109534D+01 -0.470053D+01 -0.104144D+02 -0.481626D+01 -0.208240D+01
      2   0.106746D+02  0.103313D+01  0.124070D+02  0.756222D+01  0.964569D+01
      3  -0.957927D+01  0.366740D+01 -0.199265D+01 -0.274596D+01 -0.756329D+01
      4  -0.226396D+01 -0.202171D+01  0.144648D+02  0.116627D+02 -0.263992D+01
      5  -0.289245D+01 -0.192775D+01  0.157886D+01  0.277311D+01 -0.178886D+01
      6  -0.171594D+00  0.882358D+01  0.117780D+02  0.618741D+01 -0.164146D+01
                71            72            73            74            75 
      1  -0.242429D+01  0.771247D+00  0.153885D+02 -0.129648D+02  0.120906D+02
      2   0.189999D+01  0.567526D+01 -0.159546D+02  0.921828D+01 -0.111658D+02
      3   0.524298D+00 -0.644651D+01  0.566069D+00  0.374647D+01 -0.924771D+00
      4   0.602404D+01 -0.118472D+01 -0.507448D+01 -0.411018D+00 -0.938200D+00
      5   0.159152D+01 -0.507815D+01  0.109597D+02 -0.300387D+01  0.780980D+01
      6   0.338857D+01 -0.398626D+01 -0.737072D+01 -0.134675D+01 -0.136428D+01
                76            77            78            79            80 
      1  -0.604786D+01  0.205586D+01  0.179936D+01  0.524844D+01 -0.113178D+00
      2   0.439896D+01 -0.817687D+01  0.338947D+00 -0.560458D+01 -0.651378D+00
      3   0.164890D+01  0.612102D+01 -0.213831D+01  0.356139D+00  0.764556D+00
      4  -0.379337D+00  0.114403D+02  0.159341D+01 -0.109730D+01 -0.396551D-01
      5  -0.188962D+01  0.248631D+01 -0.160249D+01  0.563083D+01  0.271130D+00
      6  -0.200566D+00  0.448135D+01  0.364199D+01 -0.291860D+00  0.335553D+01
                81            82            83            84            85 
      1   0.997136D+01 -0.642560D+01 -0.143821D+01 -0.979866D+01 -0.688109D+00
      2   0.411499D+01  0.105936D+02  0.373774D+01  0.722164D+01 -0.560112D+00
      3  -0.140863D+02 -0.416804D+01 -0.229953D+01  0.257702D+01  0.124822D+01
      4   0.145241D+01 -0.108839D+02  0.629420D+01 -0.823820D+01  0.102259D+02
      5  -0.664400D+01 -0.247884D+01 -0.113402D+02  0.272408D+01 -0.107383D+02
      6   0.246151D+01 -0.382220D+01  0.511404D+01 -0.644170D+01  0.432324D+01
                86            87            88            89            90 
      1  -0.649387D+01 -0.510925D+01 -0.834191D+01 -0.535825D+01  0.574419D+01
      2   0.515321D+01 -0.456871D+01  0.423900D+01 -0.100247D+01  0.183344D+01
      3   0.134066D+01  0.967796D+01  0.410291D+01  0.636072D+01 -0.757763D+01
      4  -0.824604D+01  0.957088D+01 -0.309612D+01  0.621093D+01 -0.231959D+01
      5   0.455296D+01 -0.330493D+01  0.196327D+01 -0.902930D+00 -0.113787D+01
      6  -0.326502D+01  0.124331D+01 -0.417695D+01  0.127817D+00  0.601615D+01
                91            92            93            94            95 
      1  -0.756875D+01 -0.161772D+01  0.130439D+02 -0.158169D+01 -0.127216D+01
      2   0.201571D+01  0.215304D+01 -0.170183D+02  0.582718D+01  0.762988D+00
      3   0.555304D+01 -0.535327D+00  0.397435D+01 -0.424549D+01  0.509173D+00
      4   0.123602D+02 -0.812253D+01  0.832192D+01 -0.137640D+02  0.981323D+01
      5   0.323531D+01  0.127693D+02 -0.855372D+01  0.136180D+02 -0.120701D+02
      6   0.181678D+01 -0.144985D+02  0.931799D+01 -0.149367D+02  0.118756D+02
                96            97            98            99           100 
      1   0.634177D+01  0.154433D+02  0.740533D+01 -0.867522D+01  0.337878D+01
      2   0.664203D+01 -0.194339D+02  0.476561D+01  0.462645D+01 -0.311404D+01
      3  -0.129838D+02  0.399058D+01 -0.121709D+02  0.404877D+01 -0.264742D+00
      4  -0.199116D+02  0.129536D+02 -0.241398D+02  0.106355D+02 -0.322510D+01
      5   0.173600D+01 -0.130395D+02  0.422341D+01 -0.159159D+01 -0.119726D+01
      6  -0.495898D+01  0.117618D+02 -0.537263D+01  0.233064D+01  0.469378D+01
               101           102           103           104           105 
      1  -0.384482D+01 -0.104096D+02 -0.187115D+01  0.159902D+02  0.304874D+01
      2   0.584569D+01  0.193844D+02  0.288721D+00 -0.237774D+02 -0.135818D+02
      3  -0.200086D+01 -0.897478D+01  0.158242D+01  0.778725D+01  0.105331D+02
      4  -0.740736D+01  0.193103D+00 -0.320768D+01  0.105600D+02  0.198933D+02
      5  -0.328804D+01 -0.933646D+00 -0.346471D+01  0.873148D+01  0.416172D+01
      6   0.175465D+02 -0.344991D+01  0.169431D+02 -0.188465D+02 -0.113277D+02
               106           107           108           109           110 
      1  -0.132728D+02  0.756411D+01  0.997611D+01  0.270477D+01  0.523892D+01
      2   0.212955D+02 -0.176164D+02 -0.134391D+02 -0.208782D+01 -0.481052D+01
      3  -0.802266D+01  0.100523D+02  0.346300D+01 -0.616950D+00 -0.428396D+00
      4   0.173387D+01  0.235695D+02 -0.131126D+01 -0.720506D+01  0.183194D+01
      5  -0.430757D+00  0.353694D+01  0.115027D+01 -0.274668D+01 -0.266313D+01
      6  -0.389893D+01 -0.164339D+02 -0.124737D+01 -0.634026D+01 -0.809877D+01
               111           112           113           114           115 
      1   0.112329D+01  0.476624D+01 -0.102195D+02 -0.471908D+01  0.211145D+01
      2  -0.107024D+02 -0.108608D+01  0.121889D+02  0.738768D+01 -0.966236D+01
      3   0.957912D+01 -0.368015D+01 -0.196944D+01 -0.266860D+01  0.755091D+01
      4  -0.215559D+01 -0.196700D+01 -0.145254D+02 -0.117010D+02 -0.256310D+01
      5  -0.285890D+01 -0.189346D+01 -0.162652D+01 -0.280951D+01 -0.176767D+01
      6   0.105834D+00 -0.888911D+01  0.116935D+02  0.620571D+01  0.159175D+01
               116           117           118           119           120 
      1  -0.237804D+01  0.766494D+00  0.313005D+02 -0.245649D+01  0.102721D+02
      2   0.179290D+01  0.572487D+01 -0.178381D+02  0.514406D+01 -0.729159D+01
      3   0.585131D+00 -0.649137D+01 -0.134624D+02 -0.268757D+01 -0.298053D+01
      4  -0.605700D+01  0.112841D+01  0.158768D+02  0.728005D+01  0.321482D+01
      5  -0.162269D+01  0.508013D+01  0.104819D+02 -0.170753D+01  0.934944D+01
      6   0.342236D+01 -0.394148D+01  0.501559D+01 -0.638654D+00  0.525196D+01
               121           122           123           124           125 
      1  -0.826841D+01  0.644216D+01 -0.407769D+01  0.168028D+02 -0.307786D+01
      2   0.736494D+01 -0.577852D+01  0.260632D+01 -0.124014D+02  0.444101D+01
      3   0.903478D+00 -0.663648D+00  0.147137D+01 -0.440145D+01 -0.136315D+01
      4   0.352100D+01 -0.328435D+00  0.238012D-01  0.718263D+01  0.203422D+01
      5  -0.331843D+01  0.222079D+01 -0.217679D+01  0.130481D+02  0.293987D+00
      6  -0.161769D+01  0.586156D+00  0.291418D+00  0.749639D+01  0.202665D+01
               126           127           128           129           130 
      1   0.899885D+01  0.140245D+02  0.661328D+01 -0.364781D+01  0.271955D+01
      2  -0.747426D+01 -0.387801D-01  0.439741D+01 -0.763447D+00  0.997892D+01
      3  -0.152459D+01 -0.139857D+02 -0.110107D+02  0.441126D+01 -0.126985D+02
      4   0.560190D+01  0.278377D+02  0.224795D+02 -0.120187D+02  0.248799D+02
      5   0.123100D+02 -0.109289D+02 -0.890959D+01  0.971129D+01 -0.861771D+01
      6   0.776113D+01 -0.106641D+02 -0.914153D+01  0.814787D+01 -0.114194D+02
               131           132           133           134           135 
      1  -0.626453D+01  0.135261D+01 -0.266741D+01  0.154744D+01 -0.618667D-01
      2   0.232826D+02 -0.705681D+01 -0.296265D+01 -0.810369D+01  0.202709D+01
      3  -0.170181D+02  0.570420D+01  0.563006D+01  0.655625D+01 -0.196523D+01
      4   0.315267D+02 -0.139844D+02 -0.188770D+02 -0.194188D+02  0.164792D+02
      5  -0.109544D+02  0.780800D+01  0.144764D+02  0.117531D+02 -0.146675D+02
      6  -0.165419D+02  0.123338D+02  0.139918D+02  0.162247D+02 -0.171342D+02
               136           137           138           139           140 
      1  -0.522544D+01  0.851545D+01 -0.372580D+01  0.495383D+01 -0.155574D+02
      2   0.791332D+01 -0.152705D+02  0.613917D+01 -0.819933D+01  0.258414D+02
      3  -0.268788D+01  0.675505D+01 -0.241337D+01  0.324550D+01 -0.102840D+02
      4  -0.146467D+02  0.799339D+01 -0.601601D+01  0.633797D+01 -0.489875D+01
      5   0.147447D+01 -0.375140D+00  0.148449D+01 -0.401838D+00  0.932399D+00
      6  -0.744063D+01  0.655321D+01 -0.741484D+01  0.443998D+01 -0.719955D+01
               141           142           143           144           145 
      1   0.460867D+01 -0.632066D+01  0.959842D+01 -0.830265D+01 -0.176943D+01
      2  -0.632855D+01  0.690681D+01 -0.137275D+02  0.910550D+01  0.806333D+01
      3   0.171987D+01 -0.586149D+00  0.412908D+01 -0.802854D+00 -0.629390D+01
      4   0.374197D+01 -0.874130D+01  0.575384D+01 -0.487809D+01  0.119775D+02
      5   0.383546D+00  0.183277D+01  0.504398D+00 -0.203202D+00  0.330344D+01
      6   0.814217D+01 -0.686033D+01  0.136175D+02 -0.153490D+02  0.547946D+01
               146           147           148           149           150 
      1  -0.240987D+01 -0.167864D+01 -0.362978D+01 -0.316567D+02 -0.109358D+02
      2   0.108851D+02  0.440775D+01  0.104950D+02  0.587720D+02  0.178911D+02
      3  -0.847525D+01 -0.272911D+01 -0.686520D+01 -0.271154D+02 -0.695530D+01
      4   0.183322D+02  0.630756D+01  0.130105D+02  0.249008D+02  0.903122D+01
      5   0.507566D+01  0.440709D+01  0.309139D+01  0.860242D+01  0.497472D+01
      6   0.762194D+01  0.453254D+01  0.684286D+01  0.256346D+02  0.165872D+02
               151           152           153           154           155 
      1  -0.282992D+01 -0.166986D+02 -0.120793D+02 -0.532604D+01 -0.854792D+01
      2   0.569163D+01  0.253905D+02  0.146960D+02  0.801708D+01  0.152969D+02
      3  -0.286171D+01 -0.869193D+01 -0.261670D+01 -0.269104D+01 -0.674902D+01
      4   0.678358D+01  0.145318D+02  0.850487D+01  0.145151D+02  0.799627D+01
      5   0.430610D+01  0.770119D+01  0.676307D+01 -0.141821D+01 -0.358936D+00
      6   0.558443D+01  0.248877D+02  0.195178D+02 -0.736125D+01 -0.657458D+01
               156           157           158           159           160 
      1   0.376487D+01 -0.496840D+01 -0.157292D+02  0.464106D+01  0.636614D+01
      2  -0.619525D+01  0.819302D+01  0.261226D+02 -0.637866D+01 -0.696445D+01
      3   0.243038D+01 -0.322462D+01 -0.103934D+02  0.173760D+01  0.598302D+00
      4  -0.593413D+01  0.636545D+01  0.480904D+01 -0.373115D+01 -0.863821D+01
      5   0.144713D+01 -0.390907D+00 -0.893868D+00 -0.413741D+00  0.179548D+01
      6   0.735791D+01 -0.445537D+01 -0.723410D+01  0.818905D+01  0.677732D+01
               161           162           163           164           165 
      1   0.966889D+01 -0.833661D+01 -0.169324D+01  0.239400D+01  0.168205D+01
      2  -0.138261D+02  0.918363D+01  0.803674D+01 -0.109392D+02 -0.444848D+01
      3   0.415720D+01 -0.847021D+00 -0.634351D+01  0.854522D+01  0.276643D+01
      4  -0.571502D+01  0.477949D+01 -0.121637D+02  0.184403D+02  0.640604D+01
      5  -0.552122D+00  0.267171D+00 -0.338442D+01  0.515370D+01  0.447364D+01
      6   0.136596D+02 -0.152928D+02  0.556115D+01 -0.772785D+01 -0.462667D+01
               166           167           168           169           170 
      1   0.363962D+01 -0.313257D+02 -0.108638D+02  0.284850D+01 -0.165890D+02
      2  -0.105640D+02  0.582446D+02  0.177913D+02 -0.574659D+01  0.252476D+02
      3   0.692441D+01 -0.269189D+02 -0.692758D+01  0.289809D+01 -0.865860D+01
      4   0.131006D+02 -0.250705D+02 -0.913799D+01  0.690868D+01 -0.147067D+02
      5   0.315288D+01 -0.868599D+01 -0.503923D+01  0.438279D+01 -0.781452D+01
      6  -0.693297D+01  0.255684D+02  0.165867D+02 -0.570602D+01  0.248973D+02
               171           172           173           174           175 
      1  -0.120444D+02  0.314192D+02  0.249996D+01 -0.102569D+02  0.832252D+01
      2   0.146334D+02 -0.179427D+02 -0.513726D+01  0.729411D+01 -0.737006D+01
      3  -0.258905D+01 -0.134765D+02  0.263730D+01  0.296279D+01 -0.952454D+00
      4  -0.865255D+01 -0.157258D+02  0.724959D+01  0.312502D+01  0.351763D+01
      5  -0.688347D+01 -0.104599D+02 -0.174761D+01  0.933896D+01 -0.334827D+01
      6   0.195951D+02  0.495314D+01  0.652664D+00 -0.520207D+01  0.162388D+01
               176           177           178           179           180 
      1   0.656825D+01 -0.413700D+01 -0.167884D+02 -0.318009D+01  0.903201D+01
      2  -0.593914D+01  0.266297D+01  0.124081D+02  0.453584D+01 -0.752853D+01
      3  -0.629116D+00  0.147403D+01  0.438034D+01 -0.135575D+01 -0.150347D+01
      4   0.543908D+00 -0.734378D-01  0.703209D+01 -0.208544D+01 -0.547425D+01
      5  -0.231546D+01  0.225340D+01  0.130358D+02 -0.178295D+00 -0.123243D+02
      6   0.592990D+00  0.258826D+00 -0.742266D+01  0.197114D+01  0.769108D+01
               181           182           183           184           185 
      1   0.142702D+02 -0.670405D+01  0.372560D+01 -0.282642D+01 -0.607058D+01
      2  -0.171750D+00 -0.434812D+01  0.715258D+00 -0.990829D+01  0.230462D+02
      3  -0.140984D+02  0.110522D+02 -0.444086D+01  0.127347D+02 -0.169757D+02
      4  -0.279868D+02  0.225315D+02 -0.120658D+02  0.249531D+02 -0.315084D+02
      5   0.110213D+02 -0.895082D+01  0.975605D+01 -0.866280D+01  0.109428D+02
      6  -0.106948D+02  0.913492D+01 -0.814729D+01  0.114111D+02 -0.164216D+02
               186           187           188           189           190 
      1   0.125394D+01  0.278872D+01  0.140575D+01  0.546145D-01  0.196290D+02
      2  -0.694881D+01  0.286790D+01 -0.794425D+01  0.191881D+01 -0.159677D+02
      3   0.569487D+01 -0.565663D+01  0.653849D+01 -0.197342D+01 -0.366125D+01
      4   0.139681D+02 -0.189349D+02  0.193708D+02 -0.164654D+02  0.141225D+01
      5  -0.781218D+01  0.145447D+02 -0.117436D+02  0.146995D+02  0.149774D+02
      6   0.122678D+02 -0.139793D+02  0.161185D+02 -0.170514D+02  0.812873D+00
               191           192           193           194           195 
      1   0.505533D+01  0.726576D+01  0.767830D+01  0.552595D+01  0.354648D+01
      2  -0.674841D+01 -0.878963D+01 -0.851390D+01 -0.641718D+01 -0.555940D+01
      3   0.169308D+01  0.152387D+01  0.835603D+00  0.891240D+00  0.201292D+01
      4   0.579591D+01  0.176392D+01  0.999684D+00  0.688079D+01  0.797270D+00
      5   0.455565D+01  0.998143D+01  0.106192D+02  0.319039D+01  0.698274D+01
      6   0.148099D+01 -0.449975D+00  0.927300D+00  0.291880D+01  0.221832D+00
               196           197           198           199           200 
      1   0.324538D+01  0.120746D+01  0.205713D+01 -0.269336D+01 -0.221861D+01
      2  -0.656465D+01 -0.188581D+01 -0.778745D+01 -0.146635D+01  0.133258D+01
      3   0.331927D+01  0.678343D+00  0.573031D+01  0.415971D+01  0.886032D+00
      4   0.303086D+01  0.523721D+00  0.195874D+01  0.602896D+01 -0.281083D+01
      5   0.749770D+01  0.340731D+01  0.859064D+01 -0.239932D+01  0.212674D+01
      6   0.420549D+00  0.125625D+01 -0.525488D+00  0.306049D-02 -0.311314D+01
               201           202           203           204           205 
      1   0.675212D+01 -0.433273D+00 -0.490231D+01  0.602189D+01  0.258123D+01
      2   0.958234D+00 -0.418922D+00  0.196144D+01 -0.948540D+00 -0.137598D+01
      3  -0.771035D+01  0.852195D+00  0.294088D+01 -0.507335D+01 -0.120526D+01
      4   0.409885D+00  0.125539D+01 -0.163149D+01  0.500405D+00 -0.292394D+01
      5  -0.276041D+00  0.352718D+00  0.914580D+00 -0.164636D+01  0.413364D+01
      6   0.550740D+01 -0.529169D+00 -0.582167D+01  0.827262D+01 -0.288899D+00
               206           207           208           209           210 
      1   0.522145D+01 -0.173097D+02 -0.425048D+00 -0.692979D+01 -0.421227D+01
      2  -0.133246D+00 -0.108488D+02  0.850495D-01  0.896520D+01  0.183320D+01
      3  -0.508821D+01  0.281585D+02  0.339998D+00 -0.203541D+01  0.237907D+01
      4   0.282652D+01  0.571865D+00  0.170737D+02  0.700938D+01  0.770044D+01
      5  -0.213068D+01  0.106896D+02  0.880067D+01  0.536362D+01  0.535470D+01
      6   0.698666D+01 -0.165877D+02  0.912677D+01  0.105471D+02  0.963729D+01
               211           212           213           214           215 
      1  -0.184972D+01 -0.293673D+01 -0.161489D+01 -0.165010D+01 -0.119652D+01
      2   0.275238D+01  0.646939D+01  0.121148D+01 -0.657915D+00 -0.144309D+01
      3  -0.902659D+00 -0.353266D+01  0.403417D+00  0.230802D+01  0.263961D+01
      4   0.732040D+01  0.764534D+01  0.468666D+01  0.422353D+01  0.404271D+01
      5   0.295775D+01  0.297100D+01  0.229782D+01  0.444487D+01  0.212710D+01
      6   0.514699D+01  0.470564D+01  0.495355D+01  0.534213D+01  0.462587D+01
               216           217           218           219           220 
      1  -0.372553D+01 -0.486022D+00  0.307790D+01  0.225973D+01  0.227025D+00
      2  -0.185716D+01 -0.344955D+01 -0.400576D+01  0.584625D+01 -0.129002D+01
      3   0.558270D+01  0.393558D+01  0.927856D+00 -0.810598D+01  0.106299D+01
      4   0.528738D+01 -0.347626D+01  0.407820D+01  0.427622D+01  0.439037D+00
      5   0.358209D+01 -0.474113D+01  0.175471D+01  0.791848D+01  0.357121D+00
      6   0.801399D+01  0.419726D+01 -0.293777D+01 -0.658725D+01 -0.564636D-01
               221           222           223           224           225 
      1   0.288755D+01  0.157021D+01  0.166663D+01 -0.449240D+01 -0.113048D+02
      2  -0.595132D+01  0.218596D+01  0.348129D+01  0.284700D+01 -0.154980D+02
      3   0.306378D+01 -0.375617D+01 -0.514792D+01  0.164540D+01  0.268028D+02
      4   0.195731D+01  0.729138D+00  0.342275D+01 -0.175166D+01 -0.266721D+01
      5  -0.131067D+01  0.888775D+00  0.539850D+01 -0.105666D+01 -0.940549D+01
      6  -0.210339D+01  0.501456D+00 -0.309314D+01  0.602042D+01  0.178120D+02
               226           227           228           229           230 
      1  -0.961246D+00 -0.420834D+00 -0.140725D+01 -0.540705D+01 -0.111516D+02
      2   0.439760D+01 -0.223661D+01  0.174640D+01  0.135352D+01  0.203211D+02
      3  -0.343635D+01  0.265744D+01 -0.339151D+00  0.405353D+01 -0.916949D+01
      4  -0.297860D+01  0.509647D+01  0.268565D+00  0.802463D+01 -0.202554D+02
      5  -0.165548D+01 -0.271196D+00 -0.242261D+00 -0.461435D+01  0.263449D+01
      6   0.369719D+00  0.418288D+00 -0.193113D+00  0.351468D+01 -0.116889D+02
               231           232           233           234           235 
      1   0.149773D+01 -0.524067D+01  0.218458D+01 -0.404602D+01 -0.291361D+01
      2  -0.147616D+00  0.361753D+01  0.764296D+00  0.235502D+01  0.411387D-01
      3  -0.135012D+01  0.162314D+01 -0.294887D+01  0.169100D+01  0.287247D+01
      4   0.398314D+01  0.175482D+01 -0.199787D+01 -0.191640D+01  0.105153D+01
      5  -0.440643D+01 -0.142681D+01 -0.179843D+01 -0.986177D-01  0.404724D-01
      6   0.512721D+01  0.102956D+00  0.259390D+01 -0.182968D+01  0.134418D+01
               236           237           238           239           240 
      1   0.100420D+01  0.326802D+01  0.364321D+01 -0.344217D+01  0.118363D+01
      2  -0.162732D+01  0.937123D+00 -0.366550D+01  0.633135D+00 -0.319555D+01
      3   0.623125D+00 -0.420514D+01  0.222878D-01  0.280904D+01  0.201191D+01
      4  -0.600026D+00  0.195503D+00  0.660100D+00 -0.860897D+00  0.224393D+01
      5   0.129160D+01  0.175484D+01  0.188943D+01  0.149456D+01  0.158554D+01
      6  -0.691217D+00  0.168566D+01  0.274769D-01 -0.190678D+01  0.442268D+01
               241           242           243           244           245 
      1   0.381041D+01  0.356643D+01 -0.196107D+02 -0.285129D+00  0.694623D+01
      2  -0.545217D+01  0.719945D+00 -0.153681D+02 -0.582860D-01 -0.899819D+01
      3   0.164175D+01 -0.428637D+01  0.349788D+02  0.343415D+00  0.205196D+01
      4  -0.154263D+01  0.330347D+01 -0.242050D+01 -0.171253D+02  0.704933D+01
      5   0.652715D+01 -0.360818D+01  0.204680D+02 -0.889139D+01  0.536452D+01
      6  -0.134034D+01  0.513610D+01 -0.957853D+01  0.915371D+01 -0.105344D+02
               246           247           248           249           250 
      1   0.415899D+01  0.184575D+01 -0.283046D+01 -0.157964D+01  0.161895D+01
      2  -0.177559D+01 -0.276544D+01  0.634662D+01  0.117933D+01  0.700323D+00
      3  -0.238340D+01  0.919687D+00 -0.351616D+01  0.400316D+00 -0.231927D+01
      4   0.775283D+01  0.730534D+01 -0.762927D+01 -0.467443D+01  0.424969D+01
      5   0.541055D+01  0.294050D+01 -0.296878D+01 -0.229243D+01  0.448032D+01
      6  -0.964735D+01 -0.513313D+01  0.463574D+01  0.492330D+01 -0.534685D+01
               251           252           253           254           255 
      1  -0.118298D+01 -0.370119D+01 -0.494389D+00 -0.312535D+01 -0.229998D+01
      2  -0.145877D+01 -0.188801D+01 -0.345132D+01  0.404452D+01 -0.583259D+01
      3   0.264175D+01  0.558921D+01  0.394570D+01 -0.919168D+00  0.813257D+01
      4  -0.403180D+01 -0.529844D+01  0.348452D+01  0.407935D+01  0.431004D+01
      5  -0.212629D+01 -0.361465D+01  0.473619D+01  0.176709D+01  0.791800D+01
      6   0.462122D+01  0.802485D+01  0.422027D+01  0.297665D+01  0.664588D+01
               256           257           258           259           260 
      1  -0.247269D+00  0.288990D+01  0.155354D+01 -0.168014D+01 -0.452437D+01
      2   0.130746D+01 -0.593934D+01  0.214734D+01 -0.347741D+01  0.284010D+01
      3  -0.106019D+01  0.304944D+01 -0.370088D+01  0.515755D+01  0.168427D+01
      4   0.461566D+00 -0.189790D+01 -0.711880D+00  0.343792D+01  0.174674D+01
      5   0.370093D+00  0.132810D+01 -0.857593D+00  0.539431D+01  0.106595D+01
      6   0.850633D-01 -0.206818D+01  0.538184D+00  0.311057D+01  0.605949D+01
               261           262           263           264           265 
      1  -0.113226D+02  0.197368D+02 -0.504710D+01 -0.728478D+01 -0.764202D+01
      2  -0.154486D+02 -0.160221D+02  0.670716D+01  0.879959D+01  0.843887D+01
      3   0.267712D+02 -0.371469D+01 -0.166006D+01 -0.151481D+01 -0.796849D+00
      4   0.270856D+01 -0.134713D+01  0.587372D+01  0.167852D+01  0.103043D+01
      5   0.936606D+01 -0.149824D+02  0.446650D+01  0.997232D+01  0.105292D+02
      6   0.178836D+02  0.776971D+00 -0.146451D+01  0.470931D+00 -0.893329D+00
               266           267           268           269           270 
      1   0.549992D+01  0.353892D+01 -0.326222D+01  0.121505D+01  0.206851D+01
      2  -0.624543D+01 -0.556517D+01  0.656885D+01 -0.192247D+01 -0.771619D+01
      3   0.745508D+00  0.202625D+01 -0.330663D+01  0.707421D+00  0.564768D+01
      4  -0.709997D+01 -0.634276D+00  0.298651D+01 -0.351689D+00 -0.199091D+01
      5  -0.297486D+01 -0.698550D+01  0.748287D+01 -0.346052D+01 -0.848030D+01
      6   0.285658D+01  0.208295D+00 -0.413814D+00  0.125493D+01 -0.549281D+00
               271           272           273           274           275 
      1  -0.264793D+01  0.221733D+01 -0.674752D+01  0.417845D+00 -0.487399D+01
      2  -0.151522D+01 -0.135620D+01 -0.959558D+00  0.417272D+00  0.193480D+01
      3   0.416315D+01 -0.861132D+00  0.770708D+01 -0.835117D+00  0.293919D+01
      4  -0.601241D+01 -0.282760D+01  0.398717D+00  0.121649D+01  0.161392D+01
      5   0.237689D+01  0.213240D+01 -0.262208D+00  0.369680D+00 -0.898569D+00
      6   0.133681D-01  0.310984D+01 -0.549643D+01  0.534799D+00 -0.577143D+01
               276           277           278           279           280 
      1   0.596577D+01 -0.256164D+01  0.519201D+01 -0.173027D+02  0.601849D+01
      2  -0.946110D+00  0.137297D+01 -0.146653D+00 -0.109238D+02 -0.317723D+01
      3  -0.501966D+01  0.118867D+01 -0.504536D+01  0.282265D+02 -0.284127D+01
      4  -0.492824D+00 -0.293997D+01 -0.283272D+01 -0.588660D+00  0.439273D+01
      5   0.161976D+01  0.414699D+01  0.212526D+01 -0.107114D+02  0.771367D+01
      6   0.821987D+01  0.307952D+00  0.696417D+01 -0.165903D+02  0.207253D+01
               281           282           283           284           285 
      1   0.343496D+01  0.653365D+01  0.756355D+01 -0.547502D+00 -0.207056D+01
      2  -0.123335D+01 -0.355764D+01 -0.377584D+01  0.359681D+01 -0.347827D+00
      3  -0.220161D+01 -0.297601D+01 -0.378771D+01 -0.304931D+01  0.241839D+01
      4   0.514195D+01  0.186754D+01  0.114175D+02  0.240104D+02  0.120443D+02
      5   0.246734D+01  0.487162D+01  0.618014D+01  0.127801D+02  0.142161D+02
      6   0.872115D+00  0.739111D+00  0.422745D+01  0.117346D+02  0.810268D+01
               286           287           288           289           290 
      1   0.805745D+01 -0.193240D+01 -0.888330D+00  0.637133D+02 -0.159580D+02
      2  -0.591621D+01 -0.876146D+00 -0.363445D+01 -0.349182D+02  0.769599D+01
      3  -0.214124D+01  0.280854D+01  0.452278D+01 -0.287951D+02  0.826197D+01
      4   0.350790D+01  0.883524D+01  0.882464D+01 -0.208291D+02  0.129791D+02
      5   0.838431D+01  0.924842D+01  0.133098D+02  0.264728D+02 -0.700735D+01
      6   0.221113D+01  0.733826D+01  0.680683D+01 -0.452763D+01  0.293997D+01
               291           292           293           294           295 
      1   0.163231D+02 -0.253473D+02  0.124746D+02 -0.670889D+01  0.144144D+02
      2  -0.105718D+02  0.126322D+02 -0.514996D+01  0.455765D+01 -0.112736D+02
      3  -0.575133D+01  0.127151D+02 -0.732467D+01  0.215124D+01 -0.314083D+01
      4  -0.600344D+01  0.197759D+02 -0.134736D+02  0.868538D+01 -0.566295D+01
      5   0.165835D+02 -0.120079D+02  0.964911D+01 -0.764804D+01  0.204710D+02
      6  -0.188553D+01  0.536632D+01 -0.355935D+01  0.426610D+01 -0.304007D+01
               296           297           298           299           300 
      1  -0.352830D+01  0.115339D+02  0.634765D+02  0.160929D+02 -0.162059D+02
      2   0.319076D+01 -0.936722D+01 -0.346816D+02 -0.771853D+01  0.104614D+02
      3   0.337532D+00 -0.216673D+01 -0.287949D+02 -0.837439D+01  0.574449D+01
      4   0.576641D+01 -0.564275D+01  0.211277D+02  0.131351D+02 -0.605410D+01
      5  -0.600266D+01  0.128629D+02 -0.262844D+02 -0.703700D+01  0.164800D+02
      6   0.365287D+01 -0.275775D+01 -0.457867D+01 -0.296447D+01  0.192178D+01
               301           302           303           304           305 
      1   0.254601D+02  0.125707D+02 -0.669264D+01 -0.143055D+02 -0.352682D+01
      2  -0.126125D+02 -0.512762D+01  0.451832D+01  0.111626D+02  0.317749D+01
      3  -0.128476D+02 -0.744310D+01  0.217432D+01  0.314295D+01  0.349334D+00
      4   0.199937D+02  0.136955D+02 -0.873307D+01 -0.572204D+01 -0.580359D+01
      5  -0.120166D+02 -0.968466D+01  0.767381D+01  0.203707D+02  0.605427D+01
      6  -0.540189D+01 -0.361550D+01  0.428572D+01  0.309701D+01  0.367925D+01
               306           307           308           309           310 
      1   0.114682D+02  0.609647D+01 -0.351639D+01 -0.652881D+01 -0.772106D+01
      2  -0.928214D+01 -0.318292D+01  0.130217D+01  0.356239D+01  0.390409D+01
      3  -0.218603D+01 -0.291355D+01  0.221422D+01  0.296642D+01  0.381697D+01
      4   0.571483D+01 -0.444080D+01  0.524616D+01  0.189189D+01  0.115212D+02
      5  -0.127671D+02 -0.773365D+01  0.253112D+01  0.493519D+01  0.628037D+01
      6  -0.279460D+01  0.208022D+01 -0.907020D+00 -0.764585D+00 -0.425152D+01
               311           312           313           314           315 
      1  -0.366679D+00 -0.194212D+01 -0.807414D+01 -0.185835D+01 -0.790679D+00
      2   0.344394D+01 -0.448263D+00  0.593951D+01 -0.933072D+00 -0.369890D+01
      3  -0.307726D+01  0.239039D+01  0.213464D+01  0.279143D+01  0.448958D+01
      4  -0.240094D+02 -0.120548D+02  0.350913D+01 -0.883553D+01 -0.882415D+01
      5  -0.127919D+02 -0.142466D+02  0.844065D+01 -0.925549D+01 -0.133354D+02
      6   0.116546D+02  0.803038D+01 -0.222379D+01  0.728551D+01  0.674474D+01
               316           317           318           319           320 
      1  -0.287245D+01 -0.100940D+01 -0.325531D+01 -0.366098D+01 -0.345398D+01
      2   0.740505D-02  0.162005D+01 -0.916730D+00  0.368598D+01  0.648477D+00
      3   0.286505D+01 -0.610647D+00  0.417204D+01 -0.250016D-01  0.280550D+01
      4  -0.106407D+01 -0.616920D+00  0.197056D+00  0.625069D+00  0.831281D+00
      5  -0.669454D-01  0.129390D+01  0.178218D+01  0.191074D+01 -0.147788D+01
      6   0.135180D+01  0.696864D+00 -0.168035D+01 -0.111324D-01 -0.188368D+01
               321           322           323           324           325 
      1   0.115249D+01 -0.379840D+01  0.353402D+01 -0.196011D+02 -0.101260D+01
      2  -0.323283D+01  0.545529D+01  0.705496D+00 -0.153920D+02  0.439898D+01
      3   0.208033D+01 -0.165689D+01 -0.423951D+01  0.349931D+02 -0.338638D+01
      4  -0.223084D+01 -0.156051D+01 -0.329957D+01  0.238591D+01  0.292681D+01
      5  -0.163648D+01  0.653494D+01  0.359137D+01 -0.204952D+02  0.166543D+01
      6   0.439747D+01  0.134850D+01  0.513062D+01 -0.958381D+01  0.365729D+00
               326           327           328           329           330 
      1   0.417527D+00  0.138977D+01  0.537808D+01 -0.112820D+02  0.156891D+01
      2   0.222408D+01 -0.172679D+01 -0.132780D+01  0.204189D+02 -0.235210D+00
      3  -0.264161D+01  0.337018D+00 -0.405028D+01 -0.913694D+01 -0.133370D+01
      4   0.498743D+01  0.277778D+00  0.795343D+01  0.202307D+02 -0.399539D+01
      5  -0.252275D+00 -0.250812D+00 -0.459145D+01 -0.265699D+01  0.439375D+01
      6  -0.353862D+00  0.182062D+00 -0.347347D+01 -0.117911D+02  0.516140D+01
               331           332           333 
      1   0.520801D+01  0.221688D+01 -0.406098D+01
      2  -0.358951D+01  0.719334D+00  0.234967D+01
      3  -0.161850D+01 -0.293622D+01  0.171130D+01
      4   0.175946D+01  0.198431D+01  0.190485D+01
      5  -0.141486D+01  0.178391D+01  0.787652D-01
      6  -0.104538D+00  0.261172D+01 -0.185508D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.141797D+03      0.210121D+02      0.233791D+02
   aniso      0.312746D+02      0.463442D+01      0.515649D+01
   xx         0.152912D+03      0.226593D+02      0.252118D+02
   yx        -0.160078D-03     -0.237211D-04     -0.263933D-04
   yy         0.151515D+03      0.224523D+02      0.249815D+02
   zx        -0.217137D-02     -0.321763D-03     -0.358010D-03
   zy         0.530054D-01      0.785459D-02      0.873941D-02
   zz         0.120963D+03      0.179248D+02      0.199441D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.141797D+03      0.210121D+02      0.233791D+02
   aniso      0.312746D+02      0.463442D+01      0.515649D+01
   xx         0.120968D+03      0.179257D+02      0.199450D+02
   yx         0.221656D+00      0.328460D-01      0.365461D-01
   yy         0.151514D+03      0.224520D+02      0.249813D+02
   zx         0.362491D+00      0.537157D-01      0.597668D-01
   zy         0.973085D-02      0.144196D-02      0.160440D-02
   zz         0.152908D+03      0.226586D+02      0.252111D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-V11-16\Freq\RwB97XD\Gen\C6H24N6Rh1(3+)\PIERPA\24-Jul-2021
 \0\\#P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar
 =ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read\\ROA calculations.\
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 Luck is a matter of preparation meeting opportunity.
                                    -- Oprah Winfrey
 Job cpu time:       0 days 14 hours  0 minutes 43.6 seconds.
 Elapsed time:       0 days  0 hours 52 minutes 41.3 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 18:00:17 2021.
